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

Systemtic Name: N-[2-[5-[1,2-bis(oxidanyl)ethyl]-2-oxidanylidene-1,3-dioxolan-4-yl]-2-oxidanyl-ethyl]-5-[4-(cyclohexen-1-yl)-3-methyl-phenyl]carbonyl-N-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[4-(cyclohexen-1-yl)-3-methyl-benzoyl]-N-[2-[5-(1,2-dihydroxyethyl)-2-oxo-1,3-dioxolan-4-yl]-2-hydroxy-ethyl]-N-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[4-(1-cyclohexenyl)-3-methylphenyl]-oxomethyl]-N-[2-[5-(1,2-dihydroxyethyl)-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]-N-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[4-(cyclohexen-1-yl)-3-methylbenzoyl]-N-[2-[5-(1,2-dihydroxyethyl)-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]-N-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[4-(cyclohexen-1-yl)-3-methyl-benzoyl]-N-[2-[5-(1,2-dihydroxyethyl)-2-keto-1,3-dioxolan-4-yl]-2-hydroxy-ethyl]-N-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C35H39N3O8 MolecularWeight: 629.69946

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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(C5C(OC(=O)O5)C(CO)O)O)C6=CCCCC6

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)N(C)CC(C5C(OC(=O)O5)C(CO)O)O)C6=CCCCC6

InChI

InChI=1S/C35H39N3O8/c1-21-16-23(12-14-26(21)22-8-4-3-5-9-22)33(42)38-18-25-13-15-28(37(25)17-24-10-6-7-11-27(24)38)34(43)36(2)19-29(40)31-32(30(41)20-39)46-35(44)45-31/h6-8,10-16,29-32,39-41H,3-5,9,17-20H2,1-2H3