3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-5-methyl-4-pyrimido[5,4-b]indolone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-5-methylpyrimido[5,4-b]indol-4-one Traditional Name: 3-homoveratryl-8-methoxy-5-methyl-pyrimid[5,4-b]indol-4-one Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H23N3O4/c1-24-17-7-6-15(27-2)12-16(17)20-21(24)22(26)25(13-23-20)10-9-14-5-8-18(28-3)19(11-14)29-4/h5-8,11-13H,9-10H2,1-4H3