N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-(4-piperonyloylpiperazino)-3-pyridyl]adamantane-1-carboxamide Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C28H32N4O4/c33-26(21-1-3-23-24(12-21)36-17-35-23)32-7-5-31(6-8-32)25-4-2-22(16-29-25)30-27(34)28-13-18-9-19(14-28)11-20(10-18)15-28/h1-4,12,16,18-20H,5-11,13-15,17H2,(H,30,34)