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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[2-benzyl-6-(4-carbamimidoylphenyl)-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-oxo-2-(phenylmethyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-benzyl-6-(4-carbamimidoylphenyl)-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidinophenyl)-2-benzyl-3-keto-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H29N5O4/c1-36-27(35)20-11-13-21(14-12-20)30-25(33)22-15-23(18-7-9-19(10-8-18)24(28)29)31-32(26(22)34)16-17-5-3-2-4-6-17/h2-10,15,20-21H,11-14,16H2,1H3,(H3,28,29)(H,30,33)