6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-N-[(2S)-2-phenylbutyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-N-[(2S)-2-phenylbutyl]pyridazine-3-carboxamide Openeye Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-[(2S)-2-phenylbutyl]pyridazine-3-carboxamide CAS Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-[(2S)-2-phenylbutyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-[(2S)-2-phenylbutyl]pyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-1-(2-nitrophenyl)-N-[(2S)-2-phenylbutyl]pyridazine-3-carboxamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=NN(C(=CC1=O)C)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C1=NN(C(=CC1=O)C)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-3-16(17-9-5-4-6-10-17)14-23-22(28)21-20(27)13-15(2)25(24-21)18-11-7-8-12-19(18)26(29)30/h4-13,16H,3,14H2,1-2H3,(H,23,28)/t16-/m1/s1