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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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