N-[6-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[6-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-(4-benzoylpiperazin-1-yl)-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-(4-benzoyl-1-piperazinyl)-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-(4-benzoylpiperazin-1-yl)pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-(4-benzoylpiperazino)-3-pyridyl]adamantane-1-carboxamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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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=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O2/c32-25(22-4-2-1-3-5-22)31-10-8-30(9-11-31)24-7-6-23(18-28-24)29-26(33)27-15-19-12-20(16-27)14-21(13-19)17-27/h1-7,18-21H,8-17H2,(H,29,33)