(E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)acrylonitrile Formula: C23H24N4O MolecularWeight: 372.46286

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N)C

InChI

InChI=1S/C23H24N4O/c1-4-10-27-17(2)11-22(18(27)3)23(28)21(13-24)12-20-14-25-26(16-20)15-19-8-6-5-7-9-19/h5-9,11-12,14,16H,4,10,15H2,1-3H3/b21-12+