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

Systemtic Name: 9-chloranyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 9-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 9-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 9-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 9-chloro-3-homoveratryl-5H-pyrimid[5,4-b]indol-4-one Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl)OC

InChI

InChI=1S/C20H18ClN3O3/c1-26-15-7-6-12(10-16(15)27-2)8-9-24-11-22-18-17-13(21)4-3-5-14(17)23-19(18)20(24)25/h3-7,10-11,23H,8-9H2,1-2H3