[2-(dimethylamino)-5-nitro-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[2-(dimethylamino)-5-nitro-phenyl]methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[2-(dimethylamino)-5-nitrophenyl]methanone Traditional Name: (4-benzylpiperidino)-[2-(dimethylamino)-5-nitro-phenyl]methanone Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-22(2)20-9-8-18(24(26)27)15-19(20)21(25)23-12-10-17(11-13-23)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3