butyl 3-oxidanylidene-2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-3-(1H-pyrrol-2-yl)propanoate

Systemtic Name: butyl 3-oxidanylidene-2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-3-(1H-pyrrol-2-yl)propanoate Openeye Name: butyl 3-oxo-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-3-(1H-pyrrol-2-yl)propanoate CAS Name: 3-oxo-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-3-(1H-pyrrol-2-yl)propanoic acid butyl ester IUPAC Name: butyl 3-oxo-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-3-(1H-pyrrol-2-yl)propanoate Traditional Name: 3-keto-2-(2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-3-(1H-pyrrol-2-yl)propionic acid butyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)C1=CC=CN1)N2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C(C(=O)C1=CC=CN1)N2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c1-2-3-16-33-26(32)24(25(31)20-13-9-15-27-20)29-21-14-8-7-12-19(21)23(28-17-22(29)30)18-10-5-4-6-11-18/h4-15,24,27H,2-3,16-17H2,1H3