2-[(4-methylphenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-methylphenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-methylanilino)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(p-toluidino)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5O/c1-14-3-5-15(6-4-14)20-13-16(23)21-9-11-22(12-10-21)17-18-7-2-8-19-17/h2-8,20H,9-13H2,1H3