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

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(pyridin-3-ylmethyl)benzenecarbonitrile hydrochloride Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-(3-pyridylmethyl)benzonitrile hydrochloride CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-(3-pyridinylmethyl)benzonitrile hydrochloride IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-(pyridin-3-ylmethyl)benzonitrile hydrochloride Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-(3-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=CN=CC=C4)C#N.Cl

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CN=CC=C4)C#N.Cl

InChI

InChI=1S/C28H29N3O2.ClH/c1-3-28(13-4-5-15-31(2)27(28)32)24-9-6-10-25(18-24)33-26-17-21(11-12-23(26)19-29)16-22-8-7-14-30-20-22;/h6-12,14,17-18,20H,3-5,13,15-16H2,1-2H3;1H