(2S)-N-(4-ethanoylphenyl)-2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]propanamide

Systemtic Name: (2S)-N-(4-ethanoylphenyl)-2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-amino]propionamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N(C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)N(C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H22N4O3/c1-13(20(27)22-16-10-8-15(9-11-16)14(2)26)25(3)12-19-23-18-7-5-4-6-17(18)21(28)24-19/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,24,28)/t13-/m0/s1