dimethyl 2-[[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indol-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indol-3-yl]methyl]propanedioate CAS Name: 2-[[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-indol-3-yl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indol-3-yl]methyl]propanedioate Traditional Name: 2-[[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-indol-3-yl]methyl]malonic acid dimethyl ester Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(NC2=CC=CC=C21)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=C(NC2=CC=CC=C21)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)C(=O)OC

InChI

InChI=1S/C25H23N5O4/c1-33-24(31)18(25(32)34-2)13-17-16-5-3-4-6-20(16)28-22(17)21-12-11-19(29-30-21)14-7-9-15(10-8-14)23(26)27/h3-12,18,28H,13H2,1-2H3,(H3,26,27)