methyl (2S)-2-[[2-[[(4-cyanophenyl)carbonylamino]methyl]quinazolin-4-yl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-[[(4-cyanophenyl)carbonylamino]methyl]quinazolin-4-yl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-[[(4-cyanobenzoyl)amino]methyl]quinazolin-4-yl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-quinazolinyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[(4-cyanobenzoyl)amino]methyl]quinazolin-4-yl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[[(4-cyanobenzoyl)amino]methyl]quinazolin-4-yl]amino]-3-methyl-butyric acid methyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H23N5O3/c1-14(2)20(23(30)31-3)28-21-17-6-4-5-7-18(17)26-19(27-21)13-25-22(29)16-10-8-15(12-24)9-11-16/h4-11,14,20H,13H2,1-3H3,(H,25,29)(H,26,27,28)/t20-/m0/s1