3-[3-(azepan-1-yl)propyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[3-(azepan-1-yl)propyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[3-(azepan-1-yl)propyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[3-(1-azepanyl)propyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[3-(azepan-1-yl)propyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-(azepan-1-yl)propyl]-7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CCCN4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CCCN4CCCCCC4)OC

InChI

InChI=1S/C21H28N4O3/c1-27-17-12-15-16(13-18(17)28-2)23-20-19(15)22-14-25(21(20)26)11-7-10-24-8-5-3-4-6-9-24/h12-14,23H,3-11H2,1-2H3