(E)-2-(1H-benzimidazol-2-yl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile hydrochloride

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile hydrochloride Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-methyl-2,3-dihydrobenzofuran-5-yl)prop-2-enenitrile hydrochloride CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-2-propenenitrile hydrochloride IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile hydrochloride Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-methylcoumaran-5-yl)acrylonitrile hydrochloride Formula: C19H16ClN3O MolecularWeight: 337.80284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4N3.Cl

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3.Cl

InChI

InChI=1S/C19H15N3O.ClH/c1-12-8-14-9-13(6-7-18(14)23-12)10-15(11-20)19-21-16-4-2-3-5-17(16)22-19;/h2-7,9-10,12H,8H2,1H3,(H,21,22);1H/b15-10+;