N-(4-methylphenyl)-N-[1-[(3-nitro-4-oxidanyl-phenyl)methyl]piperidin-4-yl]butanamide

Systemtic Name: N-(4-methylphenyl)-N-[1-[(3-nitro-4-oxidanyl-phenyl)methyl]piperidin-4-yl]butanamide Openeye Name: N-[1-[(4-hydroxy-3-nitro-phenyl)methyl]-4-piperidyl]-N-(p-tolyl)butanamide CAS Name: N-[1-[(4-hydroxy-3-nitrophenyl)methyl]-4-piperidinyl]-N-(4-methylphenyl)butanamide IUPAC Name: N-[1-[(4-hydroxy-3-nitrophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide Traditional Name: N-[1-(4-hydroxy-3-nitro-benzyl)-4-piperidyl]-N-(p-tolyl)butyramide Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1CCN(CC1)CC2=CC(=C(C=C2)O)[N+](=O)[O-])C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)N(C1CCN(CC1)CC2=CC(=C(C=C2)O)[N+](=O)[O-])C3=CC=C(C=C3)C

InChI

InChI=1S/C23H29N3O4/c1-3-4-23(28)25(19-8-5-17(2)6-9-19)20-11-13-24(14-12-20)16-18-7-10-22(27)21(15-18)26(29)30/h5-10,15,20,27H,3-4,11-14,16H2,1-2H3