2-methyl-1-oxidanylidene-10-(phenylmethyl)-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid

Systemtic Name: 2-methyl-1-oxidanylidene-10-(phenylmethyl)-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid Openeye Name: 10-benzyl-2-methyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid CAS Name: 2-methyl-1-oxo-10-(phenylmethyl)-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid IUPAC Name: 10-benzyl-2-methyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid Traditional Name: 10-benzyl-1-keto-2-methyl-4,5-dihydro-3H-azepin[3,4-b]indole-9-carboxylic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C(C1=O)N(C3=C2C=CC=C3C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CN1CCCC2=C(C1=O)N(C3=C2C=CC=C3C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3/c1-22-12-6-11-16-15-9-5-10-17(21(25)26)18(15)23(19(16)20(22)24)13-14-7-3-2-4-8-14/h2-5,7-10H,6,11-13H2,1H3,(H,25,26)