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

Systemtic Name: 3-(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-phenethyl-propanamide Openeye Name: 3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-phenethyl-propanamide CAS Name: 3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-phenethylpropanamide IUPAC Name: 3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-phenethylpropanamide Traditional Name: 3-(4-keto-8-methyl-5H-pyrimid[5,4-b]indol-3-yl)-N-phenethyl-propionamide Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2/c1-15-7-8-18-17(13-15)20-21(25-18)22(28)26(14-24-20)12-10-19(27)23-11-9-16-5-3-2-4-6-16/h2-8,13-14,25H,9-12H2,1H3,(H,23,27)