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

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclopentylcarbonylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[[cyclopentyl(oxo)methyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(2-aminocyclohexyl)-N-[2-chloro-5-(cyclopentanecarbonylamino)benzyl]-4-cyano-benzamide Formula: C27H31ClN4O2 MolecularWeight: 479.01364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H31ClN4O2/c28-23-14-13-22(31-26(33)19-5-1-2-6-19)15-21(23)17-32(25-8-4-3-7-24(25)30)27(34)20-11-9-18(16-29)10-12-20/h9-15,19,24-25H,1-8,17,30H2,(H,31,33)