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

Systemtic Name: N-[3-(phenethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(phenethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[oxo-(phenethylamino)methyl]-4-(1-pyrrolidinyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(phenethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(phenethylcarbamoyl)-4-pyrrolidino-phenyl]-piperonylamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4/c31-26(20-8-11-24-25(16-20)34-18-33-24)29-21-9-10-23(30-14-4-5-15-30)22(17-21)27(32)28-13-12-19-6-2-1-3-7-19/h1-3,6-11,16-17H,4-5,12-15,18H2,(H,28,32)(H,29,31)