(E)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)-2-methoxy-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)-2-methoxy-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)-2-methoxy-phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)-2-methoxyphenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)-2-methoxyphenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)-2-methoxy-phenyl]acrylonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C21H22N4O/c1-4-25(5-2)17-11-10-15(20(13-17)26-3)12-16(14-22)21-23-18-8-6-7-9-19(18)24-21/h6-13H,4-5H2,1-3H3,(H,23,24)/b16-12+