1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride

Systemtic Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride Openeye Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(o-tolyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride CAS Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]-1-butanone hydrate dihydrochloride IUPAC Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride Traditional Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(o-tolyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride Formula: C48H64Cl2F2N2O5 MolecularWeight: 857.934966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.CC1=CC=CC=C1C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.O.Cl.Cl

Isomeric SMILES

CC1=CC=CC=C1C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.CC1=CC=CC=C1C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.O.Cl.Cl

InChI

InChI=1S/2C24H30FNO2.2ClH.H2O/c2*1-18-6-3-4-7-22(18)24(28-2)15-13-21(14-16-24)26-17-5-8-23(27)19-9-11-20(25)12-10-19;;;/h2*3-4,6-7,9-12,21,26H,5,8,13-17H2,1-2H3;2*1H;1H2