N-[(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]benzotriazole-1-carboxamide

Systemtic Name: N-[(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]benzotriazole-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(cyclohexylmethylamino)-2-oxo-ethyl]benzotriazole-1-carboxamide CAS Name: N-[(2S)-1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzotriazolecarboxamide IUPAC Name: N-[(2S)-1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(cyclohexylmethylamino)-2-keto-ethyl]benzotriazole-1-carboxamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(CC1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H27N5O2/c29-22(24-16-18-11-5-2-6-12-18)20(15-17-9-3-1-4-10-17)25-23(30)28-21-14-8-7-13-19(21)26-27-28/h1,3-4,7-10,13-14,18,20H,2,5-6,11-12,15-16H2,(H,24,29)(H,25,30)/t20-/m0/s1