1-(3-azanylpropyl)-3-(6-oxidanylidene-1,5-dihydroimidazo[4,5-g]quinoxalin-7-yl)indole-5-carboxylic acid

Systemtic Name: 1-(3-azanylpropyl)-3-(6-oxidanylidene-1,5-dihydroimidazo[4,5-g]quinoxalin-7-yl)indole-5-carboxylic acid Openeye Name: 1-(3-aminopropyl)-3-(6-oxo-1,5-dihydroimidazo[4,5-g]quinoxalin-7-yl)indole-5-carboxylic acid CAS Name: 1-(3-aminopropyl)-3-(6-oxo-1,5-dihydroimidazo[4,5-g]quinoxalin-7-yl)-5-indolecarboxylic acid IUPAC Name: 1-(3-aminopropyl)-3-(6-oxo-1,5-dihydroimidazo[4,5-g]quinoxalin-7-yl)indole-5-carboxylic acid Traditional Name: 1-(3-aminopropyl)-3-(6-keto-1,5-dihydroimidazo[4,5-g]quinoxalin-7-yl)indole-5-carboxylic acid Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=CN2CCCN)C3=NC4=C(C=C5C(=C4)NC=N5)NC3=O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=CN2CCCN)C3=NC4=C(C=C5C(=C4)NC=N5)NC3=O

InChI

InChI=1S/C21H18N6O3/c22-4-1-5-27-9-13(12-6-11(21(29)30)2-3-18(12)27)19-20(28)26-17-8-15-14(23-10-24-15)7-16(17)25-19/h2-3,6-10H,1,4-5,22H2,(H,23,24)(H,26,28)(H,29,30)