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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)CCCCCC#N)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)CCCCCC#N)C

InChI

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