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

Systemtic Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclopropylcarbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[[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=CC(=C2)CN)CC3=CC=CC=C3NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=CC(=C2)CN)CC3=CC=CC=C3NC(=O)C4=CC5=C(C=C4)OCO5

InChI

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