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

Systemtic Name: N'-(3-nitrophenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]ethanediamide Openeye Name: N'-(3-nitrophenyl)-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]oxamide CAS Name: N'-(3-nitrophenyl)-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]oxamide IUPAC Name: N'-(3-nitrophenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]oxamide Traditional Name: N'-(3-nitrophenyl)-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]oxamide Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1CNC(=O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC3=CN=CC=C3

InChI

InChI=1S/C20H23N5O4/c26-19(20(27)23-17-4-1-5-18(11-17)25(28)29)22-13-15-6-9-24(10-7-15)14-16-3-2-8-21-12-16/h1-5,8,11-12,15H,6-7,9-10,13-14H2,(H,22,26)(H,23,27)