N-cyano-N-[(2S)-3-cyclohexyl-1-[2-[(4-methoxyphenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-cyano-N-[(2S)-3-cyclohexyl-1-[2-[(4-methoxyphenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-cyano-N-[(1S)-1-(cyclohexylmethyl)-2-[2-(4-methoxyanilino)ethylamino]-2-oxo-ethyl]benzamide CAS Name: N-cyano-N-[(2S)-3-cyclohexyl-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]benzamide IUPAC Name: N-cyano-N-[(2S)-3-cyclohexyl-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]benzamide Traditional Name: N-cyano-N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-[2-(p-anisidino)ethylamino]ethyl]benzamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCCNC(=O)C(CC2CCCCC2)N(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NCCNC(=O)[C@H](CC2CCCCC2)N(C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H32N4O3/c1-33-23-14-12-22(13-15-23)28-16-17-29-25(31)24(18-20-8-4-2-5-9-20)30(19-27)26(32)21-10-6-3-7-11-21/h3,6-7,10-15,20,24,28H,2,4-5,8-9,16-18H2,1H3,(H,29,31)/t24-/m0/s1