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

Systemtic Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-methoxy-4-propoxyphenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-methoxy-4-propoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)OC

InChI

InChI=1S/C21H21N3O2/c1-4-11-26-19-10-9-15(13-20(19)25-3)12-16(14-22)21-23-17-7-5-6-8-18(17)24(21)2/h5-10,12-13H,4,11H2,1-3H3/b16-12+