4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-7-oxidanylidene-azepan-2-yl)phenoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-7-oxidanylidene-azepan-2-yl)phenoxy]benzenecarbonitrile hydrochloride Openeye Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-7-oxo-azepan-2-yl)phenoxy]benzonitrile hydrochloride CAS Name: 4-(1-imidazolylmethyl)-2-[3-(1-methyl-7-oxo-2-azepanyl)phenoxy]benzonitrile hydrochloride IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-7-oxoazepan-2-yl)phenoxy]benzonitrile hydrochloride Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-(7-keto-1-methyl-azepan-2-yl)phenoxy]benzonitrile hydrochloride Formula: C24H25ClN4O2 MolecularWeight: 436.9339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCCCC1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl

Isomeric SMILES

CN1C(CCCCC1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl

InChI

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