N-[3-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-2-methoxy-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-2-methoxy-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-2-methoxy-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-methoxybenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-2-methoxybenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-2-methoxy-benzamide Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H29ClN4O3/c1-37-27-9-5-2-6-23(27)28(35)33-22-14-15-24(30)21(16-22)18-34(26-8-4-3-7-25(26)32)29(36)20-12-10-19(17-31)11-13-20/h2,5-6,9-16,25-26H,3-4,7-8,18,32H2,1H3,(H,33,35)