ethyl 2-[4-[(3-cyanophenyl)carbamoyl]-3-[(phenylmethyl)carbamoyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(3-cyanophenyl)carbamoyl]-3-[(phenylmethyl)carbamoyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzylcarbamoyl)-4-[(3-cyanophenyl)carbamoyl]piperazin-1-yl]acetate CAS Name: 2-[4-[(3-cyanoanilino)-oxomethyl]-3-[oxo-[(phenylmethyl)amino]methyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzylcarbamoyl)-4-[(3-cyanophenyl)carbamoyl]piperazin-1-yl]acetate Traditional Name: 2-[3-(benzylcarbamoyl)-4-[(3-cyanophenyl)carbamoyl]piperazino]acetic acid ethyl ester Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)CN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H27N5O4/c1-2-33-22(30)17-28-11-12-29(24(32)27-20-10-6-9-19(13-20)14-25)21(16-28)23(31)26-15-18-7-4-3-5-8-18/h3-10,13,21H,2,11-12,15-17H2,1H3,(H,26,31)(H,27,32)