1-methyl-3-[(3S)-3-[5-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]carbonyl-quinolin-4-one

Systemtic Name: 1-methyl-3-[(3S)-3-[5-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]carbonyl-quinolin-4-one Openeye Name: 1-methyl-3-[(3S)-3-[5-(p-tolyl)pyrimidin-4-yl]piperidine-1-carbonyl]quinolin-4-one CAS Name: 1-methyl-3-[[(3S)-3-[5-(4-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]-4-quinolinone IUPAC Name: 1-methyl-3-[(3S)-3-[5-(4-methylphenyl)pyrimidin-4-yl]piperidine-1-carbonyl]quinolin-4-one Traditional Name: 1-methyl-3-[(3S)-3-[5-(p-tolyl)pyrimidin-4-yl]piperidine-1-carbonyl]-4-quinolone Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=CN=C2C3CCCN(C3)C(=O)C4=CN(C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=CN=C2[C@H]3CCCN(C3)C(=O)C4=CN(C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C27H26N4O2/c1-18-9-11-19(12-10-18)22-14-28-17-29-25(22)20-6-5-13-31(15-20)27(33)23-16-30(2)24-8-4-3-7-21(24)26(23)32/h3-4,7-12,14,16-17,20H,5-6,13,15H2,1-2H3/t20-/m0/s1