(E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5)C

InChI

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