N-[4-[[[3-(aminomethyl)phenyl]methyl-cyclopropylcarbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-cyclopropylcarbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[[3-(aminomethyl)benzyl]-(cyclopropanecarbonyl)amino]methyl]phenyl]-piperonylamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC(=C5)CN

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC(=C5)CN

InChI

InChI=1S/C27H27N3O4/c28-14-19-2-1-3-20(12-19)16-30(27(32)21-6-7-21)15-18-4-9-23(10-5-18)29-26(31)22-8-11-24-25(13-22)34-17-33-24/h1-5,8-13,21H,6-7,14-17,28H2,(H,29,31)