3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-homoveratryl-7-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCC4=CC(=C(C=C4)OC)OC

InChI

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