(E)-2-(4-tert-butylphenyl)carbonyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-tert-butylphenyl)carbonyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(4-tert-butylbenzoyl)prop-2-enenitrile CAS Name: (E)-2-[(4-tert-butylphenyl)-oxomethyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(4-tert-butylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(4-tert-butylbenzoyl)acrylonitrile Formula: C24H23N3O MolecularWeight: 369.45892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H23N3O/c1-24(2,3)22-11-9-20(10-12-22)23(28)21(14-25)13-19-15-26-27(17-19)16-18-7-5-4-6-8-18/h4-13,15,17H,16H2,1-3H3/b21-13+