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

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclopropylcarbonylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopropanecarbonylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopropanecarbonylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(2-aminocyclohexyl)-N-[2-chloro-5-(cyclopropanecarbonylamino)benzyl]-4-cyano-benzamide Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3CC3)Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3CC3)Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

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