1-(4-fluorophenyl)-4-[[4-methoxy-4-(3-methylphenyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride

Systemtic Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(3-methylphenyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride Openeye Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(m-tolyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride CAS Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(3-methylphenyl)cyclohexyl]amino]-1-butanone hydrate dihydrochloride IUPAC Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(3-methylphenyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride Traditional Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(m-tolyl)cyclohexyl]amino]butan-1-one hydrate dihydrochloride Formula: C48H64Cl2F2N2O5 MolecularWeight: 857.934966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.CC1=CC=CC(=C1)C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.O.Cl.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.CC1=CC=CC(=C1)C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.O.Cl.Cl

InChI

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