N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide Formula: C25H27ClN4O2 MolecularWeight: 450.96048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C(=O)C4CC4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C(=O)C4CC4

InChI

InChI=1S/C25H27ClN4O2/c26-21-12-11-20(29-24(31)17-7-5-16(14-27)6-8-17)13-19(21)15-30(25(32)18-9-10-18)23-4-2-1-3-22(23)28/h5-8,11-13,18,22-23H,1-4,9-10,15,28H2,(H,29,31)