(Z)-3-[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (Z)-3-[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (Z)-3-[3-(3-butoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(3-butoxyphenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (Z)-3-[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C30H27N5O MolecularWeight: 473.56828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5

InChI

InChI=1S/C30H27N5O/c1-3-4-17-36-26-14-10-11-22(19-26)29-24(21-35(33-29)25-12-6-5-7-13-25)18-23(20-31)30-32-27-15-8-9-16-28(27)34(30)2/h5-16,18-19,21H,3-4,17H2,1-2H3/b23-18-