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

Systemtic Name: ethyl 3-[7-(5-cyanopentyl)-2,5-bis(oxidanylidene)-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-[7-(5-cyanopentyl)-1-isopropyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate CAS Name: 3-[7-(5-cyanopentyl)-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(5-cyanopentyl)-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoate Traditional Name: 3-[7-(5-cyanopentyl)-1-isopropyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid ethyl ester Formula: C35H39N3O4 MolecularWeight: 565.70186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)CCCCCC#N)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)CCCCCC#N)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C35H39N3O4/c1-4-42-32(39)24-31(27-16-10-7-11-17-27)38-33(28-18-12-8-13-19-28)35(41)37(25(2)3)30-21-20-26(23-29(30)34(38)40)15-9-5-6-14-22-36/h7-8,10-13,16-21,23,25,31,33H,4-6,9,14-15,24H2,1-3H3