2-oxidanyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one hydrochloride

Systemtic Name: 2-oxidanyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one hydrochloride Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one hydrochloride CAS Name: 2-hydroxy-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone hydrochloride IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one hydrochloride Traditional Name: 3-[(4-benzylpiperazino)methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one hydrochloride Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)O.Cl

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)O.Cl

InChI

InChI=1S/C22H28N2O2.ClH/c1-17(2)19-8-9-20(22(26)21(25)14-19)16-24-12-10-23(11-13-24)15-18-6-4-3-5-7-18;/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,25,26);1H