N-[2-(1,3-benzodioxol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C23H21N3O3/c27-23(17-6-9-24-10-7-17)25-20-5-4-16-8-11-26(14-19(16)12-20)13-18-2-1-3-21-22(18)29-15-28-21/h1-7,9-10,12H,8,11,13-15H2,(H,25,27)