(E)-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]-1-piperidyl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[3-[2-methyl-5-(3-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidino]-3-(3-pyridyl)prop-2-en-1-one Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)C(=O)C=CC4=CN=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O/c1-18-6-3-8-21(14-18)23-16-27-19(2)28-25(23)22-9-5-13-29(17-22)24(30)11-10-20-7-4-12-26-15-20/h3-4,6-8,10-12,14-16,22H,5,9,13,17H2,1-2H3/b11-10+