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

Systemtic Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-[(2-methyl-1H-indol-3-yl)carbonyl]prop-2-enenitrile Openeye Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(2-methyl-1H-indole-3-carbonyl)acrylonitrile Formula: C25H19N5O MolecularWeight: 405.45126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)CCC#N)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)CCC#N)/C#N

InChI

InChI=1S/C25H19N5O/c1-17-23(21-10-5-6-11-22(21)28-17)25(31)19(15-27)14-20-16-30(13-7-12-26)29-24(20)18-8-3-2-4-9-18/h2-6,8-11,14,16,28H,7,13H2,1H3/b19-14+