N-(2,4-dimethoxyphenyl)-3-(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propanamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide CAS Name: N-(2,4-dimethoxyphenyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-(4-keto-8-methyl-5H-pyrimid[5,4-b]indol-3-yl)propionamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC(=O)NC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC(=O)NC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C22H22N4O4/c1-13-4-6-16-15(10-13)20-21(25-16)22(28)26(12-23-20)9-8-19(27)24-17-7-5-14(29-2)11-18(17)30-3/h4-7,10-12,25H,8-9H2,1-3H3,(H,24,27)