1-(3-bromophenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]butan-1-one hydrochloride

Systemtic Name: 1-(3-bromophenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]butan-1-one hydrochloride Openeye Name: 1-(3-bromophenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]butan-1-one hydrochloride CAS Name: 1-(3-bromophenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]-1-butanone hydrochloride IUPAC Name: 1-(3-bromophenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]butan-1-one hydrochloride Traditional Name: 1-(3-bromophenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]methylamino]butan-1-one hydrochloride Formula: C23H28BrClN2O3 MolecularWeight: 495.83702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNCCCC(=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CC(CCC1CNCCCC(=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C23H27BrN2O3.ClH/c24-21-4-1-3-20(15-21)23(27)5-2-14-25-16-17-6-8-18(9-7-17)19-10-12-22(13-11-19)26(28)29;/h1,3-4,10-13,15,17-18,25H,2,5-9,14,16H2;1H