3-[(4-methylphenyl)-(phenylmethyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(4-methylphenyl)-(phenylmethyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(N-benzyl-4-methyl-anilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-methyl-N-(phenylmethyl)anilino)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(N-benzyl-4-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(N-benzyl-4-methyl-anilino)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O/c1-21-8-10-23(11-9-21)30(20-22-6-3-2-4-7-22)15-12-24(31)28-16-18-29(19-17-28)25-26-13-5-14-27-25/h2-11,13-14H,12,15-20H2,1H3