Chem
J-GLOBAL ID:201007050268806235   Nikkaji number:J2.874.946E

7-Methoxy-8-[3-[4-[2-[1,3-dioxo-1H-benzo[de]isoquinoline-2(3H)-yl]ethyl]piperazino]propoxy]-1,2,3,11aβ-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one

7-メトキシ-8-[3-[4-[2-[1,3-ジオキソ-1H-ベンゾ[de]イソキノリン-2(3H)-イル]エチル]ピペラジノ]プロポキシ]-1,2,3,11aβ-テトラヒドロ-5H-ピロロ[2,1-c][1,4]ベンゾジアゼピン-5-オン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C34H37N5O5
Molecular formula furigana: C34-H37-N5-O5
Molecular weight: 595.700
InChI: InChI=1S/C34H37N5O5/c1-43-29-20-27-28(35-22-24-8-4-12-38(24)34(27)42)21-30(29)44-19-5-11-36-13-15-37(16-14-36)17-18-39-32(40)25-9-2-6-23-7-3-10-26(31(23)25)33(39)41/h2-3,6-7,9-10,20-22,24H,4-5,8,11-19H2,1H3/t24-/m0/s1
InChI key: PBVINQWNLSGCEI-DEOSSOPVSA-N
SMILES: COc1cc2c(cc1OCCCN1CCN(CCn3c(=O)c4cccc5cccc(c3=O)c45)CC1)N=C[C@@H]1CCCN1C2=O
Systematic name  (3):
  • 7-メトキシ-8-[3-[4-[2-[1,3-ジオキソ-1H-ベンゾ[de]イソキノリン-2(3H)-イル]エチル]ピペラジノ]プロポキシ]-1,2,3,11aβ-テトラヒドロ-5H-ピロロ[2,1-c][1,4]ベンゾジアゼピン-5-オン
  • 3-{2-[4-(3-{[(7S)-13-メトキシ-2-オキソ-3,9-ジアザトリシクロ[8.4.0.03,7]テトラデカ-1(10),8,11,13-テトラエン-12-イル]オキシ}プロピル)ピペラジン-1-イル]エチル}-3-アザトリシクロ[7.3.1.05,13]トリデカ-1(13),5,7,9,11-ペンタエン-2,4-ジオン
  • 3-{2-[4-(3-{[(7S)-13-methoxy-2-oxo-3,9-diazatricyclo[8.4.0.03,7]tetradeca-1(10),8,11,13-tetraen-12-yl]oxy}propyl)piperazin-1-yl]ethyl}-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Other name (1):
  • 7-Methoxy-8-[3-[4-[2-[1,3-dioxo-1H-benzo[de]isoquinoline-2(3H)-yl]ethyl]piperazino]propoxy]-1,2,3,11aβ-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one
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