[3-tert-butyl-5-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]-phenyl-methanone dihydrochloride

Systemtic Name: [3-tert-butyl-5-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]-phenyl-methanone dihydrochloride Openeye Name: [3-tert-butyl-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-phenyl-methanone dihydrochloride CAS Name: [3-tert-butyl-4-hydroxy-5-[(4-methyl-1-piperazinyl)methyl]phenyl]-phenylmethanone dihydrochloride IUPAC Name: [3-tert-butyl-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-phenylmethanone dihydrochloride Traditional Name: [3-tert-butyl-4-hydroxy-5-[(4-methylpiperazino)methyl]phenyl]-phenyl-methanone dihydrochloride Formula: C23H32Cl2N2O2 MolecularWeight: 439.41838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)CN2CCN(CC2)C)C(=O)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)CN2CCN(CC2)C)C(=O)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C23H30N2O2.2ClH/c1-23(2,3)20-15-18(21(26)17-8-6-5-7-9-17)14-19(22(20)27)16-25-12-10-24(4)11-13-25;;/h5-9,14-15,27H,10-13,16H2,1-4H3;2*1H