ethyl 2-(azepan-1-yl)-9-methyl-pyrido[2,3-b]indole-3-carboxylate

Systemtic Name: ethyl 2-(azepan-1-yl)-9-methyl-pyrido[2,3-b]indole-3-carboxylate Openeye Name: ethyl 2-(azepan-1-yl)-9-methyl-pyrido[2,3-b]indole-3-carboxylate CAS Name: 2-(1-azepanyl)-9-methyl-3-pyrido[2,3-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(azepan-1-yl)-9-methylpyrido[2,3-b]indole-3-carboxylate Traditional Name: 2-(azepan-1-yl)-9-methyl-pyrid[2,3-b]indole-3-carboxylic acid ethyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C1)C3=CC=CC=C3N2C)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C1)C3=CC=CC=C3N2C)N4CCCCCC4

InChI

InChI=1S/C21H25N3O2/c1-3-26-21(25)17-14-16-15-10-6-7-11-18(15)23(2)19(16)22-20(17)24-12-8-4-5-9-13-24/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3