5-[4-(cyclohexen-1-yl)-3-methyl-phenyl]carbonyl-N-methyl-N-(2,3,4,5,6-pentamethoxyhexyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: 5-[4-(cyclohexen-1-yl)-3-methyl-phenyl]carbonyl-N-methyl-N-(2,3,4,5,6-pentamethoxyhexyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[4-(cyclohexen-1-yl)-3-methyl-benzoyl]-N-methyl-N-(2,3,4,5,6-pentamethoxyhexyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[4-(1-cyclohexenyl)-3-methylphenyl]-oxomethyl]-N-methyl-N-(2,3,4,5,6-pentamethoxyhexyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[4-(cyclohexen-1-yl)-3-methylbenzoyl]-N-methyl-N-(2,3,4,5,6-pentamethoxyhexyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[4-(cyclohexen-1-yl)-3-methyl-benzoyl]-N-methyl-N-(2,3,4,5,6-pentamethoxyhexyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C39H51N3O7 MolecularWeight: 673.83814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)N(C)CC(C(C(C(COC)OC)OC)OC)OC)C5=CCCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)N(C)CC(C(C(C(COC)OC)OC)OC)OC)C5=CCCCC5

InChI

InChI=1S/C39H51N3O7/c1-26-21-28(17-19-31(26)27-13-9-8-10-14-27)38(43)42-23-30-18-20-33(41(30)22-29-15-11-12-16-32(29)42)39(44)40(2)24-34(46-4)36(48-6)37(49-7)35(47-5)25-45-3/h11-13,15-21,34-37H,8-10,14,22-25H2,1-7H3