N-(1-adamantylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-(1-adamantylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carboxamide Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26N4O4/c1-14-6-20(28)21(25-26(14)18-4-2-3-5-19(18)27(30)31)22(29)24-13-23-10-15-7-16(11-23)9-17(8-15)12-23/h2-6,15-17H,7-13H2,1H3,(H,24,29)