(4-methylphenyl)-[2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methanone

Systemtic Name: (4-methylphenyl)-[2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methanone Openeye Name: p-tolyl-[2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanone CAS Name: (4-methylphenyl)-[2-[oxo-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl]phenyl]methanone IUPAC Name: (4-methylphenyl)-[2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanone Traditional Name: p-tolyl-[2-[4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanone Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCC5

InChI

InChI=1S/C27H29N5O2/c1-20-8-10-21(11-9-20)26(33)22-6-2-3-7-23(22)27(34)32-16-14-31(15-17-32)25-18-24(28-19-29-25)30-12-4-5-13-30/h2-3,6-11,18-19H,4-5,12-17H2,1H3