1-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile hydrochloride

Systemtic Name: 1-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-(4-dimethylaminophenyl)-1-[3-(1-imidazolyl)propyl]-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)phthalan-5-carbonitrile hydrochloride Formula: C23H25ClN4O MolecularWeight: 408.9238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCCN4C=CN=C4.Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCCN4C=CN=C4.Cl

InChI

InChI=1S/C23H24N4O.ClH/c1-26(2)21-7-5-20(6-8-21)23(10-3-12-27-13-11-25-17-27)22-9-4-18(15-24)14-19(22)16-28-23;/h4-9,11,13-14,17H,3,10,12,16H2,1-2H3;1H