N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[[4-(aminomethyl)benzyl]carbamoyl]-2-methyl-phenyl]-piperonylamide Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H23N3O4/c1-15-2-7-18(23(28)26-13-17-5-3-16(12-25)4-6-17)10-20(15)27-24(29)19-8-9-21-22(11-19)31-14-30-21/h2-11H,12-14,25H2,1H3,(H,26,28)(H,27,29)