4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile hydrochloride Openeye Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxo-azepan-3-yl)phenoxy]benzonitrile hydrochloride CAS Name: 4-(1-imidazolylmethyl)-2-[3-(1-methyl-2-oxo-3-azepanyl)phenoxy]benzonitrile hydrochloride IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxoazepan-3-yl)phenoxy]benzonitrile hydrochloride Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-keto-1-methyl-azepan-3-yl)phenoxy]benzonitrile hydrochloride Formula: C24H25ClN4O2 MolecularWeight: 436.9339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl

Isomeric SMILES

CN1CCCCC(C1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl

InChI

InChI=1S/C24H24N4O2.ClH/c1-27-11-3-2-7-22(24(27)29)19-5-4-6-21(14-19)30-23-13-18(8-9-20(23)15-25)16-28-12-10-26-17-28;/h4-6,8-10,12-14,17,22H,2-3,7,11,16H2,1H3;1H