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

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

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3CCC3)Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3CCC3)Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H29ClN4O2/c27-22-13-12-21(30-25(32)18-4-3-5-18)14-20(22)16-31(24-7-2-1-6-23(24)29)26(33)19-10-8-17(15-28)9-11-19/h8-14,18,23-24H,1-7,16,29H2,(H,30,32)