7,8-dimethoxy-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 7,8-dimethoxy-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-cinnamylpiperazin-1-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole CAS Name: 7,8-dimethoxy-4-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 7,8-dimethoxy-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-cinnamylpiperazino)-7,8-dimethoxy-5H-pyrimid[5,4-b]indole Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)CC=CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)CC=CC5=CC=CC=C5)OC

InChI

InChI=1S/C25H27N5O2/c1-31-21-15-19-20(16-22(21)32-2)28-24-23(19)26-17-27-25(24)30-13-11-29(12-14-30)10-6-9-18-7-4-3-5-8-18/h3-9,15-17,28H,10-14H2,1-2H3