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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl

InChI

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