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

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2/c26-15-17-5-9-19(10-6-17)24(30)28-21-13-7-18(8-14-21)16-29(25(31)20-11-12-20)23-4-2-1-3-22(23)27/h5-10,13-14,20,22-23H,1-4,11-12,16,27H2,(H,28,30)