tert-butyl 10-(3-oxidanylpropyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 10-(3-oxidanylpropyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 10-(3-hydroxypropyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate CAS Name: 10-(3-hydroxypropyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 10-(3-hydroxypropyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate Traditional Name: 10-(3-hydroxypropyl)-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C20H28N2O3 MolecularWeight: 344.44792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)NC3=CC=CC(=C23)CCCO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)NC3=CC=CC(=C23)CCCO

InChI

InChI=1S/C20H28N2O3/c1-20(2,3)25-19(24)22-11-9-15-16(10-12-22)21-17-8-4-6-14(18(15)17)7-5-13-23/h4,6,8,21,23H,5,7,9-13H2,1-3H3