N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(2-aminocyclohexyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]-4-cyano-benzamide Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H29ClN4O3/c30-25-15-14-23(33-28(35)19-37-24-6-2-1-3-7-24)16-22(25)18-34(27-9-5-4-8-26(27)32)29(36)21-12-10-20(17-31)11-13-21/h1-3,6-7,10-16,26-27H,4-5,8-9,18-19,32H2,(H,33,35)