1-(aminomethyl)-5-methyl-4-(3-nitrophenyl)-6-piperazin-1-yl-1,2-diazinan-3-one

Systemtic Name: 1-(aminomethyl)-5-methyl-4-(3-nitrophenyl)-6-piperazin-1-yl-1,2-diazinan-3-one Openeye Name: 1-(aminomethyl)-5-methyl-4-(3-nitrophenyl)-6-piperazin-1-yl-hexahydropyridazin-3-one CAS Name: 1-(aminomethyl)-5-methyl-4-(3-nitrophenyl)-6-(1-piperazinyl)-3-diazinanone IUPAC Name: 1-(aminomethyl)-5-methyl-4-(3-nitrophenyl)-6-piperazin-1-yldiazinan-3-one Traditional Name: 1-(aminomethyl)-5-methyl-4-(3-nitrophenyl)-6-piperazino-hexahydropyridazin-3-one Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NN(C1N2CCNCC2)CN)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(=O)NN(C1N2CCNCC2)CN)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N6O3/c1-11-14(12-3-2-4-13(9-12)22(24)25)15(23)19-21(10-17)16(11)20-7-5-18-6-8-20/h2-4,9,11,14,16,18H,5-8,10,17H2,1H3,(H,19,23)