2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzenecarbonitrile hydrochloride

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzenecarbonitrile hydrochloride Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzonitrile hydrochloride CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzonitrile hydrochloride IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzonitrile hydrochloride Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzonitrile hydrochloride Formula: C26H29ClN4O2 MolecularWeight: 464.98706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CN=CN4)C#N.Cl

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CN=CN4)C#N.Cl

InChI

InChI=1S/C26H28N4O2.ClH/c1-3-26(11-4-5-12-30(2)25(26)31)21-7-6-8-23(15-21)32-24-14-19(9-10-20(24)16-27)13-22-17-28-18-29-22;/h6-10,14-15,17-18H,3-5,11-13H2,1-2H3,(H,28,29);1H