methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]propanoate

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]propanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]propanoate CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]propanoate Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]indol-3-yl]propionic acid methyl ester Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C2=CC=CC=C21)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CN(C2=CC=CC=C21)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H21N5O2/c1-30-22(29)13-10-17-14-28(20-5-3-2-4-18(17)20)21-12-11-19(26-27-21)15-6-8-16(9-7-15)23(24)25/h2-9,11-12,14H,10,13H2,1H3,(H3,24,25)