7-azanyl-2-[3-(hydroxymethyl)-9H-pyrido[3,4-b]indol-1-yl]quinoline-5,8-dione

Systemtic Name: 7-azanyl-2-[3-(hydroxymethyl)-9H-pyrido[3,4-b]indol-1-yl]quinoline-5,8-dione Openeye Name: 7-amino-2-[3-(hydroxymethyl)-9H-pyrido[3,4-b]indol-1-yl]quinoline-5,8-dione CAS Name: 7-amino-2-[3-(hydroxymethyl)-9H-pyrido[3,4-b]indol-1-yl]quinoline-5,8-dione IUPAC Name: 7-amino-2-[3-(hydroxymethyl)-9H-pyrido[3,4-b]indol-1-yl]quinoline-5,8-dione Traditional Name: 7-amino-2-(3-methylol-9H-$b-carbolin-1-yl)quinoline-5,8-quinone Formula: C21H14N4O3 MolecularWeight: 370.36086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=NC5=C(C=C4)C(=O)C=C(C5=O)N)CO

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=NC5=C(C=C4)C(=O)C=C(C5=O)N)CO

InChI

InChI=1S/C21H14N4O3/c22-14-8-17(27)12-5-6-16(25-19(12)21(14)28)20-18-13(7-10(9-26)23-20)11-3-1-2-4-15(11)24-18/h1-8,24,26H,9,22H2