N-[3-(2-methylpropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(2-methylpropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(isobutylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[(2-methylpropylamino)-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(2-methylpropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(isobutylcarbamoyl)-4-pyrrolidino-phenyl]-piperonylamide Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCCC4

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCCC4

InChI

InChI=1S/C23H27N3O4/c1-15(2)13-24-23(28)18-12-17(6-7-19(18)26-9-3-4-10-26)25-22(27)16-5-8-20-21(11-16)30-14-29-20/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H,24,28)(H,25,27)