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

Systemtic Name: 2-[3-(1-ethanoyl-3-ethyl-azepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile hydrochloride Openeye Name: 2-[3-(1-acetyl-3-ethyl-azepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride CAS Name: 2-[3-(1-acetyl-3-ethyl-3-azepanyl)phenoxy]-4-(1-imidazolylmethyl)benzonitrile hydrochloride IUPAC Name: 2-[3-(1-acetyl-3-ethylazepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride Traditional Name: 2-[3-(1-acetyl-3-ethyl-azepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride Formula: C27H31ClN4O2 MolecularWeight: 479.01364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O2.ClH/c1-3-27(11-4-5-13-31(19-27)21(2)32)24-7-6-8-25(16-24)33-26-15-22(9-10-23(26)17-28)18-30-14-12-29-20-30;/h6-10,12,14-16,20H,3-5,11,13,18-19H2,1-2H3;1H