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

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[2-[[(2-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[2-[[(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=C2NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4CC4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4CC4

InChI

InChI=1S/C25H28N4O2/c26-15-17-9-11-18(12-10-17)24(30)28-22-7-3-1-5-20(22)16-29(25(31)19-13-14-19)23-8-4-2-6-21(23)27/h1,3,5,7,9-12,19,21,23H,2,4,6,8,13-14,16,27H2,(H,28,30)