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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-3-(8-fluoranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide Traditional Name: N-[4-(dimethylamino)benzyl]-3-(8-fluoro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)propionamide Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F

InChI

InChI=1S/C22H22FN5O2/c1-27(2)16-6-3-14(4-7-16)12-24-19(29)9-10-28-13-25-20-17-11-15(23)5-8-18(17)26-21(20)22(28)30/h3-8,11,13,26H,9-10,12H2,1-2H3,(H,24,29)