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

Systemtic Name: N-[3-(propan-2-ylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(isopropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[oxo-(propan-2-ylamino)methyl]-4-(1-pyrrolidinyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(propan-2-ylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(isopropylcarbamoyl)-4-pyrrolidino-phenyl]-piperonylamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-14(2)23-22(27)17-12-16(6-7-18(17)25-9-3-4-10-25)24-21(26)15-5-8-19-20(11-15)29-13-28-19/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,23,27)(H,24,26)