propan-2-yl 3-(diethylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: propan-2-yl 3-(diethylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(diethylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[diethylamino(oxo)methyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(diethylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(diethylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CC(C2=C(C(=C1)C(=O)OC(C)C)NC3=CC=CC=C32)(C)C

Isomeric SMILES

CCN(CC)C(=O)N1CC(C2=C(C(=C1)C(=O)OC(C)C)NC3=CC=CC=C32)(C)C

InChI

InChI=1S/C23H31N3O3/c1-7-25(8-2)22(28)26-13-17(21(27)29-15(3)4)20-19(23(5,6)14-26)16-11-9-10-12-18(16)24-20/h9-13,15,24H,7-8,14H2,1-6H3