N-[3-(1H-imidazol-5-yl)propyl]-1-[4-methyl-5-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl]piperazine-2-carboxamide

Systemtic Name: N-[3-(1H-imidazol-5-yl)propyl]-1-[4-methyl-5-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl]piperazine-2-carboxamide Openeye Name: N-[3-(1H-imidazol-5-yl)propyl]-1-[4-methyl-5-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]piperazine-2-carboxamide CAS Name: N-[3-(1H-imidazol-5-yl)propyl]-1-[4-methyl-5-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-2-piperazinecarboxamide IUPAC Name: N-[3-(1H-imidazol-5-yl)propyl]-1-[4-methyl-5-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]piperazine-2-carboxamide Traditional Name: N-[3-(1H-imidazol-5-yl)propyl]-1-[6-keto-4-methyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-3-yl]piperazine-2-carboxamide Formula: C22H28N8O4 MolecularWeight: 468.50892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NN=C1N2CCNCC2C(=O)NCCCC3=CN=CN3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(=O)NN=C1N2CCNCC2C(=O)NCCCC3=CN=CN3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N8O4/c1-14-19(15-4-2-6-17(10-15)30(33)34)22(32)28-27-20(14)29-9-8-23-12-18(29)21(31)25-7-3-5-16-11-24-13-26-16/h2,4,6,10-11,13-14,18-19,23H,3,5,7-9,12H2,1H3,(H,24,26)(H,25,31)(H,28,32)