N'-(2-methyl-4-nitro-phenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]ethanediamide

Systemtic Name: N'-(2-methyl-4-nitro-phenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]ethanediamide Openeye Name: N'-(2-methyl-4-nitro-phenyl)-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]oxamide CAS Name: N'-(2-methyl-4-nitrophenyl)-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]oxamide IUPAC Name: N'-(2-methyl-4-nitrophenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]oxamide Traditional Name: N'-(2-methyl-4-nitro-phenyl)-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]oxamide Formula: C21H25N5O4 MolecularWeight: 411.4543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-15-11-18(26(29)30)4-5-19(15)24-21(28)20(27)23-13-16-6-9-25(10-7-16)14-17-3-2-8-22-12-17/h2-5,8,11-12,16H,6-7,9-10,13-14H2,1H3,(H,23,27)(H,24,28)