(3S)-1-[2-(dimethylamino)-5-nitro-phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-(dimethylamino)-5-nitro-phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[2-(dimethylamino)-5-nitro-benzoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(dimethylamino)-5-nitrobenzoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-(dimethylamino)-5-nitro-benzoyl]-N-phenyl-nipecotamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-23(2)19-11-10-17(25(28)29)13-18(19)21(27)24-12-6-7-15(14-24)20(26)22-16-8-4-3-5-9-16/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,22,26)/t15-/m0/s1