(E)-3-(3-butoxy-4-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2C)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)OC

InChI

InChI=1S/C22H23N3O2/c1-4-5-12-27-21-14-16(10-11-20(21)26-3)13-17(15-23)22-24-18-8-6-7-9-19(18)25(22)2/h6-11,13-14H,4-5,12H2,1-3H3/b17-13+