1-(6-chloranylpyridazin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-methyl-N-[(2-nitrophenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-methyl-N-(2-nitrobenzyl)nipecotamide Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN5O3/c1-22(11-13-5-2-3-7-15(13)24(26)27)18(25)14-6-4-10-23(12-14)17-9-8-16(19)20-21-17/h2-3,5,7-9,14H,4,6,10-12H2,1H3