N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[[3-(aminomethyl)benzyl]-(cyclohexanecarbonyl)amino]methyl]phenyl]-piperonylamide Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=CC(=C2)CN)CC3=CC=CC=C3NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC(=C2)CN)CC3=CC=CC=C3NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H33N3O4/c31-17-21-7-6-8-22(15-21)18-33(30(35)23-9-2-1-3-10-23)19-25-11-4-5-12-26(25)32-29(34)24-13-14-27-28(16-24)37-20-36-27/h4-8,11-16,23H,1-3,9-10,17-20,31H2,(H,32,34)