[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

Systemtic Name: [(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone Openeye Name: [(3S)-3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]-1-piperidyl]-(3-pyrazol-1-ylphenyl)methanone CAS Name: [(3S)-3-[2-methyl-5-(3-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]-[3-(1-pyrazolyl)phenyl]methanone IUPAC Name: [(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone Traditional Name: [(3S)-3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidino]-(3-pyrazol-1-ylphenyl)methanone Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)C(=O)C4=CC(=CC=C4)N5C=CC=N5)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2[C@H]3CCCN(C3)C(=O)C4=CC(=CC=C4)N5C=CC=N5)C

InChI

InChI=1S/C27H27N5O/c1-19-7-3-8-21(15-19)25-17-28-20(2)30-26(25)23-10-5-13-31(18-23)27(33)22-9-4-11-24(16-22)32-14-6-12-29-32/h3-4,6-9,11-12,14-17,23H,5,10,13,18H2,1-2H3/t23-/m0/s1