methyl 4-[[6-[4-(aminomethyl)phenyl]-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[6-[4-(aminomethyl)phenyl]-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-[4-(aminomethyl)phenyl]-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[6-[4-(aminomethyl)phenyl]-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-[4-(aminomethyl)phenyl]-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-[4-(aminomethyl)phenyl]-3-keto-2-methyl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)CN)C(=O)NC3CCC(CC3)C(=O)OC

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)CN)C(=O)NC3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H26N4O4/c1-25-20(27)17(11-18(24-25)14-5-3-13(12-22)4-6-14)19(26)23-16-9-7-15(8-10-16)21(28)29-2/h3-6,11,15-16H,7-10,12,22H2,1-2H3,(H,23,26)