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

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

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)CN)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)CN)[N+](=O)[O-]

InChI

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