ethyl 3-[7-(5-cyanopentyl)-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate

Systemtic Name: ethyl 3-[7-(5-cyanopentyl)-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-[7-(5-cyanopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate CAS Name: 3-[7-(5-cyanopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(5-cyanopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate Traditional Name: 3-[7-(5-cyanopentyl)-2,5-diketo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C27H31N3O4/c1-3-34-26(32)17-20(2)29-19-25(31)30(22-12-8-6-9-13-22)24-15-14-21(18-23(24)27(29)33)11-7-4-5-10-16-28/h6,8-9,12-15,18,20H,3-5,7,10-11,17,19H2,1-2H3