(phenylmethyl) 4-[5-[(3-methylphenyl)carbonylamino]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-[(3-methylphenyl)carbonylamino]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-[(3-methylbenzoyl)amino]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[[(3-methylphenyl)-oxomethyl]amino]-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[(3-methylbenzoyl)amino]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(m-toluoylamino)-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-19-6-5-9-21(16-19)24(30)27-22-10-11-23(26-17-22)28-12-14-29(15-13-28)25(31)32-18-20-7-3-2-4-8-20/h2-11,16-17H,12-15,18H2,1H3,(H,27,30)