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

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-[(4-methoxyphenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(4-methoxybenzoyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(4-methoxybenzoyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(2-aminocyclohexyl)-N-[2-chloro-5-(p-anisoylamino)benzyl]-4-cyano-benzamide Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H29ClN4O3/c1-37-24-13-10-20(11-14-24)28(35)33-23-12-15-25(30)22(16-23)18-34(27-5-3-2-4-26(27)32)29(36)21-8-6-19(17-31)7-9-21/h6-16,26-27H,2-5,18,32H2,1H3,(H,33,35)