methyl 2-[[1-(3-cyanophenyl)carbonyl-4-(phenylmethyl)piperazin-2-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-(3-cyanophenyl)carbonyl-4-(phenylmethyl)piperazin-2-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-benzyl-1-(3-cyanobenzoyl)piperazine-2-carbonyl]amino]acetate CAS Name: 2-[[[1-[(3-cyanophenyl)-oxomethyl]-4-(phenylmethyl)-2-piperazinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-benzyl-1-(3-cyanobenzoyl)piperazine-2-carbonyl]amino]acetate Traditional Name: 2-[[4-benzyl-1-(3-cyanobenzoyl)piperazine-2-carbonyl]amino]acetic acid methyl ester Formula: C23H24N4O4 MolecularWeight: 420.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4/c1-31-21(28)14-25-22(29)20-16-26(15-17-6-3-2-4-7-17)10-11-27(20)23(30)19-9-5-8-18(12-19)13-24/h2-9,12,20H,10-11,14-16H2,1H3,(H,25,29)