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

Systemtic Name: ethyl 3-[1-[(4-chlorophenyl)methyl]-7-[2-(4-cyanophenyl)ethynyl]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[1-[(4-chlorophenyl)methyl]-7-[2-(4-cyanophenyl)ethynyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[1-[(4-chlorophenyl)methyl]-7-[2-(4-cyanophenyl)ethynyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[(4-chlorophenyl)methyl]-7-[2-(4-cyanophenyl)ethynyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[1-(4-chlorobenzyl)-7-[2-(4-cyanophenyl)ethynyl]-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C30H24ClN3O4 MolecularWeight: 525.98226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)C#CC3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)C#CC3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H24ClN3O4/c1-2-38-29(36)15-16-33-20-28(35)34(19-24-9-12-25(31)13-10-24)27-14-11-22(17-26(27)30(33)37)6-3-21-4-7-23(18-32)8-5-21/h4-5,7-14,17H,2,15-16,19-20H2,1H3