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

Systemtic Name: (E)-4-methyl-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]pent-2-en-1-one Openeye Name: (E)-4-methyl-1-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]-1-piperidyl]pent-2-en-1-one CAS Name: (E)-4-methyl-1-[3-[2-methyl-5-(3-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]-2-penten-1-one IUPAC Name: (E)-4-methyl-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]pent-2-en-1-one Traditional Name: (E)-4-methyl-1-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidino]pent-2-en-1-one Formula: C23H29N3O MolecularWeight: 363.49586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O/c1-16(2)10-11-22(27)26-12-6-9-20(15-26)23-21(14-24-18(4)25-23)19-8-5-7-17(3)13-19/h5,7-8,10-11,13-14,16,20H,6,9,12,15H2,1-4H3/b11-10+