(1-methylazepan-2-yl)-[3-[5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-yl]methanone

Systemtic Name: (1-methylazepan-2-yl)-[3-[5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: (1-methylazepan-2-yl)-[3-[5-(o-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: (1-methyl-2-azepanyl)-[3-[5-(2-methylphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: (1-methylazepan-2-yl)-[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: (1-methylazepan-2-yl)-[3-[5-(o-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidino]methanone Formula: C29H35N5O MolecularWeight: 469.6211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCCN(C3)C(=O)C4CCCCCN4C)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2C3CCCN(C3)C(=O)C4CCCCCN4C)C5=CC=NC=C5

InChI

InChI=1S/C29H35N5O/c1-21-9-5-6-11-24(21)25-19-31-28(22-13-15-30-16-14-22)32-27(25)23-10-8-18-34(20-23)29(35)26-12-4-3-7-17-33(26)2/h5-6,9,11,13-16,19,23,26H,3-4,7-8,10,12,17-18,20H2,1-2H3