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

Systemtic Name: ethyl 3-[7-(5-cyanopentyl)-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-[7-(5-cyanopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate CAS Name: 3-[7-(5-cyanopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(5-cyanopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoate Traditional Name: 3-[7-(5-cyanopentyl)-2,5-diketo-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid ethyl ester Formula: C32H33N3O4 MolecularWeight: 523.62212

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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)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)CCCCCC#N)C4=CC=CC=C4

InChI

InChI=1S/C32H33N3O4/c1-2-39-31(37)22-29(25-14-8-5-9-15-25)34-23-30(36)35(26-16-10-6-11-17-26)28-19-18-24(21-27(28)32(34)38)13-7-3-4-12-20-33/h5-6,8-11,14-19,21,29H,2-4,7,12-13,22-23H2,1H3