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

Systemtic Name: N-[3-(phenethylcarbamoyl)-4-piperidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(phenethylcarbamoyl)-4-(1-piperidyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[oxo-(phenethylamino)methyl]-4-(1-piperidinyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(phenethylcarbamoyl)-4-piperidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(phenethylcarbamoyl)-4-piperidino-phenyl]-piperonylamide Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4/c32-27(21-9-12-25-26(17-21)35-19-34-25)30-22-10-11-24(31-15-5-2-6-16-31)23(18-22)28(33)29-14-13-20-7-3-1-4-8-20/h1,3-4,7-12,17-18H,2,5-6,13-16,19H2,(H,29,33)(H,30,32)