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

Systemtic Name: 5-[4-[4-(aminomethyl)piperidin-1-yl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 5-[4-[4-(aminomethyl)-1-piperidyl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 5-[4-[4-(aminomethyl)-1-piperidinyl]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 5-[4-[4-(aminomethyl)piperidin-1-yl]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 5-[4-[4-(aminomethyl)piperidino]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3/c1-11-10-19-20-17(23)16(11)13-2-3-14(15(8-13)22(24)25)21-6-4-12(9-18)5-7-21/h2-3,8,10-12,16H,4-7,9,18H2,1H3,(H,20,23)