N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide Formula: C29H38ClN3O4 MolecularWeight: 528.08272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4CCCCC4)OC

InChI

InChI=1S/C29H38ClN3O4/c1-36-26-15-8-20(17-27(26)37-2)28(34)32-23-11-14-25(30)21(16-23)18-33(24-12-9-22(31)10-13-24)29(35)19-6-4-3-5-7-19/h8,11,14-17,19,22,24H,3-7,9-10,12-13,18,31H2,1-2H3,(H,32,34)