methyl 4-oxidanylidene-5-(phenylmethyl)-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: methyl 4-oxidanylidene-5-(phenylmethyl)-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate Openeye Name: methyl 5-benzyl-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate CAS Name: 4-oxo-5-(phenylmethyl)-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 5-benzyl-4-keto-1,2,3,6-tetrahydroazepin[4,5-b]indole-5-carboxylic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=C(CCNC1=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(C2=C(CCNC1=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

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