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

Systemtic Name: (E)-1-[3-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[3-(5-benzyl-2-methyl-pyrimidin-4-yl)-1-piperidyl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[3-[2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperidinyl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[3-(5-benzyl-2-methylpyrimidin-4-yl)piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[3-(5-benzyl-2-methyl-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=NC=C(C(=N1)C2CCCN(C2)C(=O)C=CC3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)/C=C/C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O/c1-19-27-17-23(15-20-7-3-2-4-8-20)25(28-19)22-10-6-14-29(18-22)24(30)12-11-21-9-5-13-26-16-21/h2-5,7-9,11-13,16-17,22H,6,10,14-15,18H2,1H3/b12-11+