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

Systemtic Name: propan-2-yl 4-[[6-(4-carbamimidoylphenyl)-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=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/C29H33N5O4/c1-18(2)38-29(37)22-12-14-23(15-13-22)32-27(35)24-16-25(20-8-10-21(11-9-20)26(30)31)33-34(28(24)36)17-19-6-4-3-5-7-19/h3-11,16,18,22-23H,12-15,17H2,1-2H3,(H3,30,31)(H,32,35)