N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloranyl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloranyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloro-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-3-chlorophenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chlorophenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloro-phenyl]-3,4-dimethoxy-benzamide Formula: C24H30ClN3O4 MolecularWeight: 459.9657

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NCC3CCCC(C3)CN)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NCC3CCCC(C3)CN)Cl)OC

InChI

InChI=1S/C24H30ClN3O4/c1-31-21-9-6-17(11-22(21)32-2)23(29)28-18-7-8-19(20(25)12-18)24(30)27-14-16-5-3-4-15(10-16)13-26/h6-9,11-12,15-16H,3-5,10,13-14,26H2,1-2H3,(H,27,30)(H,28,29)