(E)-1-(2-methylphenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(2-methylphenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(o-tolyl)prop-2-en-1-one CAS Name: (E)-1-(2-methylphenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(2-methylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(o-tolyl)prop-2-en-1-one Formula: C25H21N3O MolecularWeight: 379.45374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O/c1-19-8-5-6-12-23(19)24(29)14-13-22-18-28(17-20-9-3-2-4-10-20)27-25(22)21-11-7-15-26-16-21/h2-16,18H,17H2,1H3/b14-13+