4-oxidanylidene-4-(7-oxidanylidene-9-phenyl-6-pyridin-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl)butanoate

Systemtic Name: 4-oxidanylidene-4-(7-oxidanylidene-9-phenyl-6-pyridin-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl)butanoate Openeye Name: 4-oxo-4-[7-oxo-9-phenyl-6-(3-pyridyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]butanoate CAS Name: 4-oxo-4-[7-oxo-9-phenyl-6-(3-pyridinyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]butanoate IUPAC Name: 4-oxo-4-(7-oxo-9-phenyl-6-pyridin-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl)butanoate Traditional Name: 4-keto-4-[7-keto-9-phenyl-6-(3-pyridyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]butyrate Formula: C28H24N3O4- MolecularWeight: 466.50786

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C2C(C1=O)C(N(C3=CC=CC=C3N2)C(=O)CCC(=O)[O-])C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(C=C2C(C1=O)C(N(C3=CC=CC=C3N2)C(=O)CCC(=O)[O-])C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4/c32-24-16-20(18-7-2-1-3-8-18)15-22-27(24)28(19-9-6-14-29-17-19)31(25(33)12-13-26(34)35)23-11-5-4-10-21(23)30-22/h1-11,14-15,17,20,27-28,30H,12-13,16H2,(H,34,35)/p-1