(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile hydrochloride

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile hydrochloride Openeye Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile hydrochloride CAS Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile hydrochloride IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile hydrochloride Traditional Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile hydrochloride Formula: C21H21BrClN3O2 MolecularWeight: 462.76734

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OC.Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)C)OC.Cl

InChI

InChI=1S/C21H20BrN3O2.ClH/c1-4-7-27-20-16(22)10-14(11-19(20)26-3)9-15(12-23)21-24-17-6-5-13(2)8-18(17)25-21;/h5-6,8-11H,4,7H2,1-3H3,(H,24,25);1H/b15-9+;