3-ethyl-3-[3-[3-(imidazol-1-ylmethyl)phenoxy]phenyl]-1-methyl-azepan-2-one hydrochloride

Systemtic Name: 3-ethyl-3-[3-[3-(imidazol-1-ylmethyl)phenoxy]phenyl]-1-methyl-azepan-2-one hydrochloride Openeye Name: 3-ethyl-3-[3-[3-(imidazol-1-ylmethyl)phenoxy]phenyl]-1-methyl-azepan-2-one hydrochloride CAS Name: 3-ethyl-3-[3-[3-(1-imidazolylmethyl)phenoxy]phenyl]-1-methyl-2-azepanone hydrochloride IUPAC Name: 3-ethyl-3-[3-[3-(imidazol-1-ylmethyl)phenoxy]phenyl]-1-methylazepan-2-one hydrochloride Traditional Name: 3-ethyl-3-[3-[3-(imidazol-1-ylmethyl)phenoxy]phenyl]-1-methyl-azepan-2-one hydrochloride Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2.ClH/c1-3-25(12-4-5-14-27(2)24(25)29)21-9-7-11-23(17-21)30-22-10-6-8-20(16-22)18-28-15-13-26-19-28;/h6-11,13,15-17,19H,3-5,12,14,18H2,1-2H3;1H