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

Systemtic Name: N-[4-[(4-azanylcyclohexyl)carbamoyl]-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methyl-phenyl]-piperonylamide Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4/c1-13-10-14(21(26)24-17-6-4-16(23)5-7-17)2-8-18(13)25-22(27)15-3-9-19-20(11-15)29-12-28-19/h2-3,8-11,16-17H,4-7,12,23H2,1H3,(H,24,26)(H,25,27)