(4-methylphenyl)-[4-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)piperazin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(4-methyl-6-pyrrolidino-pyrimidin-2-yl)piperazino]-(p-tolyl)methanone Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CCCC4)C

InChI

InChI=1S/C21H27N5O/c1-16-5-7-18(8-6-16)20(27)25-11-13-26(14-12-25)21-22-17(2)15-19(23-21)24-9-3-4-10-24/h5-8,15H,3-4,9-14H2,1-2H3