N'-(2-methyl-5-nitro-phenyl)-N-[[1-(phenylmethyl)piperidin-4-yl]methyl]ethanediamide

Systemtic Name: N'-(2-methyl-5-nitro-phenyl)-N-[[1-(phenylmethyl)piperidin-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzyl-4-piperidyl)methyl]-N'-(2-methyl-5-nitro-phenyl)oxamide CAS Name: N'-(2-methyl-5-nitrophenyl)-N-[[1-(phenylmethyl)-4-piperidinyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide Traditional Name: N-[(1-benzyl-4-piperidyl)methyl]-N'-(2-methyl-5-nitro-phenyl)oxamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)NCC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)NCC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4/c1-16-7-8-19(26(29)30)13-20(16)24-22(28)21(27)23-14-17-9-11-25(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)