(phenylmethyl) 4-oxidanylidene-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-oxidanylidene-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylate Openeye Name: benzyl 4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylate CAS Name: 4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylate Traditional Name: 4-keto-2,3,5,6-tetrahydro-1H-azepin[4,5-b]indole-2-carboxylic acid benzyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)CC2=C1C3=CC=CC=C3N2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(NC(=O)CC2=C1C3=CC=CC=C3N2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H18N2O3/c23-19-11-17-15(14-8-4-5-9-16(14)21-17)10-18(22-19)20(24)25-12-13-6-2-1-3-7-13/h1-9,18,21H,10-12H2,(H,22,23)