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

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(pyridin-2-ylmethyl)benzenecarbonitrile hydrochloride Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-(2-pyridylmethyl)benzonitrile hydrochloride CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-(2-pyridinylmethyl)benzonitrile hydrochloride IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-(pyridin-2-ylmethyl)benzonitrile hydrochloride Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-(2-pyridylmethyl)benzonitrile hydrochloride Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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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=CC=CC=N4)C#N.Cl

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CC=CC=N4)C#N.Cl

InChI

InChI=1S/C28H29N3O2.ClH/c1-3-28(14-5-7-16-31(2)27(28)32)23-9-8-11-25(19-23)33-26-18-21(12-13-22(26)20-29)17-24-10-4-6-15-30-24;/h4,6,8-13,15,18-19H,3,5,7,14,16-17H2,1-2H3;1H