5-(1H-indol-3-yl)-4-oxidanylidene-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylic acid

Systemtic Name: 5-(1H-indol-3-yl)-4-oxidanylidene-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylic acid Openeye Name: 5-(1H-indol-3-yl)-4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylic acid CAS Name: 5-(1H-indol-3-yl)-4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylic acid IUPAC Name: 5-(1H-indol-3-yl)-4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylic acid Traditional Name: 5-(1H-indol-3-yl)-4-keto-2,3,5,6-tetrahydro-1H-azepin[4,5-b]indole-2-carboxylic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(C2=C1C3=CC=CC=C3N2)C4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1C(NC(=O)C(C2=C1C3=CC=CC=C3N2)C4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C21H17N3O3/c25-20-18(14-10-22-15-7-3-1-6-12(14)15)19-13(9-17(24-20)21(26)27)11-5-2-4-8-16(11)23-19/h1-8,10,17-18,22-23H,9H2,(H,24,25)(H,26,27)