N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(phenylmethyl)piperazine-1-carboxamide Openeye Name: 4-benzyl-N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-4-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-benzyl-N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]piperazine-1-carboxamide Traditional Name: 4-benzyl-N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]piperazine-1-carboxamide Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H33N5O2/c24-11-12-25-22(29)21(17-19-7-3-1-4-8-19)26-23(30)28-15-13-27(14-16-28)18-20-9-5-2-6-10-20/h2,5-6,9-10,19,21H,1,3-4,7-8,12-18H2,(H,25,29)(H,26,30)