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

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[(3-methylimidazol-4-yl)methyl]benzenecarbonitrile hydrochloride Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-[(3-methylimidazol-4-yl)methyl]benzonitrile hydrochloride CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-[(3-methyl-4-imidazolyl)methyl]benzonitrile hydrochloride IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-[(3-methylimidazol-4-yl)methyl]benzonitrile hydrochloride Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-[(3-methylimidazol-4-yl)methyl]benzonitrile hydrochloride Formula: C27H31ClN4O2 MolecularWeight: 479.01364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CN=CN4C)C#N.Cl

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CN=CN4C)C#N.Cl

InChI

InChI=1S/C27H30N4O2.ClH/c1-4-27(12-5-6-13-30(2)26(27)32)22-8-7-9-24(16-22)33-25-15-20(10-11-21(25)17-28)14-23-18-29-19-31(23)3;/h7-11,15-16,18-19H,4-6,12-14H2,1-3H3;1H