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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclobutylcarbonylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclobutanecarbonylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclobutanecarbonylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-(cyclobutanecarbonylamino)benzyl]-4-cyano-benzamide Formula: C26H29ClN4O2 MolecularWeight: 464.98706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H29ClN4O2/c27-24-13-10-22(30-25(32)18-2-1-3-18)14-20(24)16-31(23-11-8-21(29)9-12-23)26(33)19-6-4-17(15-28)5-7-19/h4-7,10,13-14,18,21,23H,1-3,8-9,11-12,16,29H2,(H,30,32)