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

Systemtic Name: dimethyl 2-[[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]methyl]propanedioate CAS Name: 2-[[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]methyl]propanedioate Traditional Name: 2-[[1-[6-(4-amidinophenyl)pyridazin-3-yl]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=CN(C2=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=CN(C2=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)19(25(32)34-2)13-17-14-30(21-6-4-3-5-18(17)21)22-12-11-20(28-29-22)15-7-9-16(10-8-15)23(26)27/h3-12,14,19H,13H2,1-2H3,(H3,26,27)