(6R,9S)-6-(4-chlorophenyl)-9-(furan-2-yl)-7-oxidanylidene-N-propyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide

Systemtic Name: (6R,9S)-6-(4-chlorophenyl)-9-(furan-2-yl)-7-oxidanylidene-N-propyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Openeye Name: (6R,9S)-6-(4-chlorophenyl)-9-(2-furyl)-7-oxo-N-propyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide CAS Name: (6R,9S)-6-(4-chlorophenyl)-9-(2-furanyl)-7-oxo-N-propyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide IUPAC Name: (6R,9S)-6-(4-chlorophenyl)-9-(furan-2-yl)-7-oxo-N-propyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Traditional Name: (6R,9S)-6-(4-chlorophenyl)-9-(2-furyl)-7-keto-N-propyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CO3)NC4=CC=CC=C41)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCNC(=O)N1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CO3)NC4=CC=CC=C41)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClN3O3/c1-2-13-29-27(33)31-22-7-4-3-6-20(22)30-21-15-18(24-8-5-14-34-24)16-23(32)25(21)26(31)17-9-11-19(28)12-10-17/h3-12,14,18,26,30H,2,13,15-16H2,1H3,(H,29,33)/t18-,26+/m0/s1