N-[(6,7-dimethoxy-4-piperidin-1-yl-9H-pyrimido[4,5-b]indol-2-yl)methyl]-N-ethyl-ethanamine

Systemtic Name: N-[(6,7-dimethoxy-4-piperidin-1-yl-9H-pyrimido[4,5-b]indol-2-yl)methyl]-N-ethyl-ethanamine Openeye Name: N-[[6,7-dimethoxy-4-(1-piperidyl)-9H-pyrimido[4,5-b]indol-2-yl]methyl]-N-ethyl-ethanamine CAS Name: N-[[6,7-dimethoxy-4-(1-piperidinyl)-9H-pyrimido[4,5-b]indol-2-yl]methyl]-N-ethylethanamine IUPAC Name: N-[(6,7-dimethoxy-4-piperidin-1-yl-9H-pyrimido[4,5-b]indol-2-yl)methyl]-N-ethylethanamine Traditional Name: (6,7-dimethoxy-4-piperidino-9H-pyrimid[4,5-b]indol-2-yl)methyl-diethyl-amine Formula: C22H31N5O2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=C(C3=CC(=C(C=C3N2)OC)OC)C(=N1)N4CCCCC4

Isomeric SMILES

CCN(CC)CC1=NC2=C(C3=CC(=C(C=C3N2)OC)OC)C(=N1)N4CCCCC4

InChI

InChI=1S/C22H31N5O2/c1-5-26(6-2)14-19-24-21-20(22(25-19)27-10-8-7-9-11-27)15-12-17(28-3)18(29-4)13-16(15)23-21/h12-13H,5-11,14H2,1-4H3,(H,23,24,25)