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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-pyrimido[5,4-b]indolone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimido[5,4-b]indol-4-one Traditional Name: 3-homoveratryl-5-methyl-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H21N3O3/c1-23-16-7-5-4-6-15(16)19-20(23)21(25)24(13-22-19)11-10-14-8-9-17(26-2)18(12-14)27-3/h4-9,12-13H,10-11H2,1-3H3