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

Systemtic Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]butan-1-one hydrate hydrochloride Openeye Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(o-tolyl)cyclohexyl]amino]butan-1-one hydrate hydrochloride CAS Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]-1-butanone hydrate hydrochloride IUPAC Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]butan-1-one hydrate hydrochloride Traditional Name: 1-(4-fluorophenyl)-4-[[4-methoxy-4-(o-tolyl)cyclohexyl]amino]butan-1-one hydrate hydrochloride Formula: C24H33ClFNO3 MolecularWeight: 437.975123

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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.O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO2.ClH.H2O/c1-18-6-3-4-7-22(18)24(28-2)15-13-21(14-16-24)26-17-5-8-23(27)19-9-11-20(25)12-10-19;;/h3-4,6-7,9-12,21,26H,5,8,13-17H2,1-2H3;1H;1H2