N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-[4-(phenylcarbonyl)phenyl]propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-[4-(phenylcarbonyl)phenyl]propan-2-yl]benzamide Openeye Name: N-[(1S)-1-[(4-benzoylphenyl)methyl]-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-3-(4-benzoylphenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[(2S)-3-(4-benzoylphenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-1-(4-benzoylbenzyl)-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O3/c26-15-16-27-25(31)22(28-24(30)21-9-5-2-6-10-21)17-18-11-13-20(14-12-18)23(29)19-7-3-1-4-8-19/h1-14,22H,16-17H2,(H,27,31)(H,28,30)/t22-/m0/s1