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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-15-4-5-18(19(11-15)26(29)30)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)