N-(1,3-benzodioxol-5-ylmethyl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-piperonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O4/c28-24(26-14-17-10-11-22-23(12-17)31-16-30-22)21-13-19-8-4-5-9-20(19)15-27(21)25(29)18-6-2-1-3-7-18/h1-12,21H,13-16H2,(H,26,28)