N-[1-(cyanomethylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]benzamide Openeye Name: N-[1-[(4-benzyloxyphenyl)methyl]-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]benzamide Traditional Name: N-[1-(4-benzoxybenzyl)-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)NCC#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)NCC#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H23N3O3/c26-15-16-27-25(30)23(28-24(29)21-9-5-2-6-10-21)17-19-11-13-22(14-12-19)31-18-20-7-3-1-4-8-20/h1-14,23H,16-18H2,(H,27,30)(H,28,29)