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

Systemtic Name: ethyl 3-[7-(5-cyanopentyl)-1-methyl-2,5-bis(oxidanylidene)-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-[7-(5-cyanopentyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate CAS Name: 3-[7-(5-cyanopentyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(5-cyanopentyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate Traditional Name: 3-[7-(5-cyanopentyl)-2,5-diketo-1-methyl-3-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid ethyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C)C3=CC=CC=C3

InChI

InChI=1S/C28H33N3O4/c1-4-35-25(32)18-20(2)31-26(22-13-9-7-10-14-22)28(34)30(3)24-16-15-21(19-23(24)27(31)33)12-8-5-6-11-17-29/h7,9-10,13-16,19-20,26H,4-6,8,11-12,18H2,1-3H3