3-[4-azanyl-3-(propylcarbamoyl)cinnolin-8-yl]benzoic acid

Systemtic Name: 3-[4-azanyl-3-(propylcarbamoyl)cinnolin-8-yl]benzoic acid Openeye Name: 3-[4-amino-3-(propylcarbamoyl)cinnolin-8-yl]benzoic acid CAS Name: 3-[4-amino-3-[oxo(propylamino)methyl]-8-cinnolinyl]benzoic acid IUPAC Name: 3-[4-amino-3-(propylcarbamoyl)cinnolin-8-yl]benzoic acid Traditional Name: 3-[4-amino-3-(propylcarbamoyl)cinnolin-8-yl]benzoic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C2=C(C(=CC=C2)C3=CC(=CC=C3)C(=O)O)N=N1)N

Isomeric SMILES

CCCNC(=O)C1=C(C2=C(C(=CC=C2)C3=CC(=CC=C3)C(=O)O)N=N1)N

InChI

InChI=1S/C19H18N4O3/c1-2-9-21-18(24)17-15(20)14-8-4-7-13(16(14)22-23-17)11-5-3-6-12(10-11)19(25)26/h3-8,10H,2,9H2,1H3,(H2,20,22)(H,21,24)(H,25,26)