(E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(1-phenylpyrazol-4-yl)acrylonitrile Formula: C22H16N4O MolecularWeight: 352.38864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CN(N=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CN(N=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C22H16N4O/c1-15-21(19-9-5-6-10-20(19)25-15)22(27)17(12-23)11-16-13-24-26(14-16)18-7-3-2-4-8-18/h2-11,13-14,25H,1H3/b17-11+