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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclopentylcarbonylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[cyclopentyl(oxo)methyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(4-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(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(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/C27H31ClN4O2/c28-25-14-11-23(31-26(33)19-3-1-2-4-19)15-21(25)17-32(24-12-9-22(30)10-13-24)27(34)20-7-5-18(16-29)6-8-20/h5-8,11,14-15,19,22,24H,1-4,9-10,12-13,17,30H2,(H,31,33)