azepan-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone hydrochloride

Systemtic Name: azepan-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone hydrochloride Openeye Name: azepan-1-yl-[3-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]phenyl]methanone hydrochloride CAS Name: 1-azepanyl-[3-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]phenyl]methanone hydrochloride IUPAC Name: azepan-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone hydrochloride Traditional Name: azepan-1-yl-[3-[[4-(2-isopropoxyphenyl)piperazino]methyl]phenyl]methanone hydrochloride Formula: C27H38ClN3O2 MolecularWeight: 472.06252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C(=O)N4CCCCCC4.Cl

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C(=O)N4CCCCCC4.Cl

InChI

InChI=1S/C27H37N3O2.ClH/c1-22(2)32-26-13-6-5-12-25(26)29-18-16-28(17-19-29)21-23-10-9-11-24(20-23)27(31)30-14-7-3-4-8-15-30;/h5-6,9-13,20,22H,3-4,7-8,14-19,21H2,1-2H3;1H