2-azanyl-3-cyano-4-(1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[h]quinoline-8-carboxylic acid

Systemtic Name: 2-azanyl-3-cyano-4-(1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[h]quinoline-8-carboxylic acid Openeye Name: 2-amino-3-cyano-4-(1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[h]quinoline-8-carboxylic acid CAS Name: 2-amino-3-cyano-4-(1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[h]quinoline-8-carboxylic acid IUPAC Name: 2-amino-3-cyano-4-(1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[h]quinoline-8-carboxylic acid Traditional Name: 2-amino-3-cyano-4-(1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[h]quinoline-8-carboxylic acid Formula: C17H12N6O2 MolecularWeight: 332.31618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=C(C=C3)C(=O)O)N=C(C(=C2C4=NC=NN4)C#N)N

Isomeric SMILES

C1CC2=C(C3=C1C=C(C=C3)C(=O)O)N=C(C(=C2C4=NC=NN4)C#N)N

InChI

InChI=1S/C17H12N6O2/c18-6-12-13(16-20-7-21-23-16)11-4-1-8-5-9(17(24)25)2-3-10(8)14(11)22-15(12)19/h2-3,5,7H,1,4H2,(H2,19,22)(H,24,25)(H,20,21,23)