methyl 4-(7-oxidanylidene-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoate

Systemtic Name: methyl 4-(7-oxidanylidene-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoate Openeye Name: methyl 4-(7-oxo-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoate CAS Name: 4-[7-oxo-5-(1-oxopropyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-(7-oxo-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoate Traditional Name: 4-(7-keto-9-phenyl-5-propionyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester Formula: C30H28N2O4 MolecularWeight: 480.55432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C30H28N2O4/c1-3-27(34)32-25-12-8-7-11-23(25)31-24-17-22(19-9-5-4-6-10-19)18-26(33)28(24)29(32)20-13-15-21(16-14-20)30(35)36-2/h4-17,22,28-29,31H,3,18H2,1-2H3