(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-m-toluoyl-acrylonitrile Formula: C22H18ClN3O MolecularWeight: 375.85082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=C(N(N=C2C)CC3=CC=CC=C3)Cl)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)/C#N

InChI

InChI=1S/C22H18ClN3O/c1-15-7-6-10-18(11-15)21(27)19(13-24)12-20-16(2)25-26(22(20)23)14-17-8-4-3-5-9-17/h3-12H,14H2,1-2H3/b19-12+