phenyl 2-(2-azanylethylcarbamoyl)-4-[(3-methylphenyl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: phenyl 2-(2-azanylethylcarbamoyl)-4-[(3-methylphenyl)carbamoyl]piperazine-1-carboxylate Openeye Name: phenyl 2-(2-aminoethylcarbamoyl)-4-(m-tolylcarbamoyl)piperazine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-4-[(3-methylanilino)-oxomethyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 2-(2-aminoethylcarbamoyl)-4-[(3-methylphenyl)carbamoyl]piperazine-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-4-(m-tolylcarbamoyl)piperazine-1-carboxylic acid phenyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(C(C2)C(=O)NCCN)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(C(C2)C(=O)NCCN)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O4/c1-16-6-5-7-17(14-16)25-21(29)26-12-13-27(19(15-26)20(28)24-11-10-23)22(30)31-18-8-3-2-4-9-18/h2-9,14,19H,10-13,15,23H2,1H3,(H,24,28)(H,25,29)