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

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

C1CC1C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC1C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H27ClN4O2/c26-23-12-9-21(29-24(31)17-5-6-17)13-19(23)15-30(22-10-7-20(28)8-11-22)25(32)18-3-1-16(14-27)2-4-18/h1-4,9,12-13,17,20,22H,5-8,10-11,15,28H2,(H,29,31)