3-(dimethylamino)-1-(4-nitrophenyl)-2-[4-(phenylmethyl)piperidin-1-yl]propan-1-ol

Systemtic Name: 3-(dimethylamino)-1-(4-nitrophenyl)-2-[4-(phenylmethyl)piperidin-1-yl]propan-1-ol Openeye Name: 2-(4-benzyl-1-piperidyl)-3-(dimethylamino)-1-(4-nitrophenyl)propan-1-ol CAS Name: 3-(dimethylamino)-1-(4-nitrophenyl)-2-[4-(phenylmethyl)-1-piperidinyl]-1-propanol IUPAC Name: 2-(4-benzylpiperidin-1-yl)-3-(dimethylamino)-1-(4-nitrophenyl)propan-1-ol Traditional Name: 2-(4-benzylpiperidino)-3-(dimethylamino)-1-(4-nitrophenyl)propan-1-ol Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)CC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-24(2)17-22(23(27)20-8-10-21(11-9-20)26(28)29)25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-11,19,22-23,27H,12-17H2,1-2H3