5-[4-(4-azanylpiperidin-1-yl)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 5-[4-(4-azanylpiperidin-1-yl)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 5-[4-(4-amino-1-piperidyl)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 5-[4-(4-amino-1-piperidinyl)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 5-[4-(4-aminopiperidin-1-yl)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 5-[4-(4-aminopiperidino)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=NNC(=O)C1C2=CC(=C(C=C2)N3CCC(CC3)N)[N+](=O)[O-]

Isomeric SMILES

CC1C=NNC(=O)C1C2=CC(=C(C=C2)N3CCC(CC3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-10-9-18-19-16(22)15(10)11-2-3-13(14(8-11)21(23)24)20-6-4-12(17)5-7-20/h2-3,8-10,12,15H,4-7,17H2,1H3,(H,19,22)