N-[6-[4-(4-methylphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[6-[4-(4-methylphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-(4-p-toluoylpiperazino)-3-pyridyl]adamantane-1-carboxamide Formula: C28H34N4O2 MolecularWeight: 458.59516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H34N4O2/c1-19-2-4-23(5-3-19)26(33)32-10-8-31(9-11-32)25-7-6-24(18-29-25)30-27(34)28-15-20-12-21(16-28)14-22(13-20)17-28/h2-7,18,20-22H,8-17H2,1H3,(H,30,34)