N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-3-chlorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chlorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloro-phenyl]-piperonylamide Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)CN

InChI

InChI=1S/C23H26ClN3O4/c24-19-10-17(27-22(28)16-4-7-20-21(9-16)31-13-30-20)5-6-18(19)23(29)26-12-15-3-1-2-14(8-15)11-25/h4-7,9-10,14-15H,1-3,8,11-13,25H2,(H,26,29)(H,27,28)