6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Openeye Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide CAS Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-1-(2-nitrophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]pyridazine-3-carboxamide Formula: C22H19N7O4 MolecularWeight: 445.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=CC=C3CN4C=NC=N4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=CC=C3CN4C=NC=N4

InChI

InChI=1S/C22H19N7O4/c1-15-10-20(30)21(26-28(15)18-8-4-5-9-19(18)29(32)33)22(31)24-11-16-6-2-3-7-17(16)12-27-14-23-13-25-27/h2-10,13-14H,11-12H2,1H3,(H,24,31)