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

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[1-benzyl-2-(cyanomethylamino)-2-oxo-ethyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[1-benzyl-2-(cyanomethylamino)-2-keto-ethyl]-4-(4-methylpiperazino)benzamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC#N

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC#N

InChI

InChI=1S/C23H27N5O2/c1-27-13-15-28(16-14-27)20-9-7-19(8-10-20)22(29)26-21(23(30)25-12-11-24)17-18-5-3-2-4-6-18/h2-10,21H,12-17H2,1H3,(H,25,30)(H,26,29)