4-(imidazol-1-ylmethyl)-2-[3-(2-oxidanylideneazepan-3-yl)phenoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-oxidanylideneazepan-3-yl)phenoxy]benzenecarbonitrile hydrochloride Openeye Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-oxoazepan-3-yl)phenoxy]benzonitrile hydrochloride CAS Name: 4-(1-imidazolylmethyl)-2-[3-(2-oxo-3-azepanyl)phenoxy]benzonitrile hydrochloride IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-oxoazepan-3-yl)phenoxy]benzonitrile hydrochloride Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-ketoazepan-3-yl)phenoxy]benzonitrile hydrochloride Formula: C23H23ClN4O2 MolecularWeight: 422.90732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl

Isomeric SMILES

C1CCNC(=O)C(C1)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl

InChI

InChI=1S/C23H22N4O2.ClH/c24-14-19-8-7-17(15-27-11-10-25-16-27)12-22(19)29-20-5-3-4-18(13-20)21-6-1-2-9-26-23(21)28;/h3-5,7-8,10-13,16,21H,1-2,6,9,15H2,(H,26,28);1H