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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C4CCC(CC4)N

Isomeric SMILES

C1CC1C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C4CCC(CC4)N

InChI

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