1-(4-methylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]butan-1-one hydrochloride

Systemtic Name: 1-(4-methylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]butan-1-one hydrochloride Openeye Name: 4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]-1-(p-tolyl)butan-1-one hydrochloride CAS Name: 1-(4-methylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]-1-butanone hydrochloride IUPAC Name: 1-(4-methylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]butan-1-one hydrochloride Traditional Name: 4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]-1-(p-tolyl)butan-1-one hydrochloride Formula: C24H31ClN2O3 MolecularWeight: 430.96754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCCNCC2CCC(CC2)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCCNCC2CCC(CC2)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C24H30N2O3.ClH/c1-18-4-8-22(9-5-18)24(27)3-2-16-25-17-19-6-10-20(11-7-19)21-12-14-23(15-13-21)26(28)29;/h4-5,8-9,12-15,19-20,25H,2-3,6-7,10-11,16-17H2,1H3;1H