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

Systemtic Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]-piperonylamide Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29N3O4/c1-15-9-18(23(28)26-13-17-4-2-3-16(10-17)12-25)5-7-20(15)27-24(29)19-6-8-21-22(11-19)31-14-30-21/h5-9,11,16-17H,2-4,10,12-14,25H2,1H3,(H,26,28)(H,27,29)