N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-(3-pyrimidin-5-ylphenyl)propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-(3-pyrimidin-5-ylphenyl)propan-2-yl]benzamide Openeye Name: N-[(1S)-2-(cyanomethylamino)-2-oxo-1-[(3-pyrimidin-5-ylphenyl)methyl]ethyl]benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-[3-(5-pyrimidinyl)phenyl]propan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyrimidin-5-ylphenyl)propan-2-yl]benzamide Traditional Name: N-[(1S)-2-(cyanomethylamino)-2-keto-1-[3-(5-pyrimidyl)benzyl]ethyl]benzamide Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC(=C2)C3=CN=CN=C3)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC(=C2)C3=CN=CN=C3)C(=O)NCC#N

InChI

InChI=1S/C22H19N5O2/c23-9-10-26-22(29)20(27-21(28)17-6-2-1-3-7-17)12-16-5-4-8-18(11-16)19-13-24-15-25-14-19/h1-8,11,13-15,20H,10,12H2,(H,26,29)(H,27,28)/t20-/m0/s1