methyl 5-[[3-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-pyridazin-5-yl]carbonylamino]pentanoate

Systemtic Name: methyl 5-[[3-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-pyridazin-5-yl]carbonylamino]pentanoate Openeye Name: methyl 5-[[3-(4-carbamimidoylphenyl)-6-oxo-1H-pyridazine-5-carbonyl]amino]pentanoate CAS Name: 5-[[[3-(4-carbamimidoylphenyl)-6-oxo-1H-pyridazin-5-yl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 5-[[3-(4-carbamimidoylphenyl)-6-oxo-1H-pyridazine-5-carbonyl]amino]pentanoate Traditional Name: 5-[[3-(4-amidinophenyl)-6-keto-1H-pyridazine-5-carbonyl]amino]valeric acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCNC(=O)C1=CC(=NNC1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC(=O)CCCCNC(=O)C1=CC(=NNC1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H21N5O4/c1-27-15(24)4-2-3-9-21-17(25)13-10-14(22-23-18(13)26)11-5-7-12(8-6-11)16(19)20/h5-8,10H,2-4,9H2,1H3,(H3,19,20)(H,21,25)(H,23,26)