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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[3-[[(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(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2/c26-15-17-8-10-19(11-9-17)24(30)28-21-5-3-4-18(14-21)16-29(25(31)20-12-13-20)23-7-2-1-6-22(23)27/h3-5,8-11,14,20,22-23H,1-2,6-7,12-13,16,27H2,(H,28,30)