7,8-dimethoxy-4-[4-(phenylmethyl)piperidin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 7,8-dimethoxy-4-[4-(phenylmethyl)piperidin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzyl-1-piperidyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole CAS Name: 7,8-dimethoxy-4-[4-(phenylmethyl)-1-piperidinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzylpiperidin-1-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzylpiperidino)-7,8-dimethoxy-5H-pyrimid[5,4-b]indole Formula: C24H26N4O2 MolecularWeight: 402.48884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCC(CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCC(CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C24H26N4O2/c1-29-20-13-18-19(14-21(20)30-2)27-23-22(18)25-15-26-24(23)28-10-8-17(9-11-28)12-16-6-4-3-5-7-16/h3-7,13-15,17,27H,8-12H2,1-2H3