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

Systemtic Name: N-[6-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-(4-m-anisoylpiperazino)-3-pyridyl]adamantane-1-carboxamide Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H34N4O3/c1-35-24-4-2-3-22(14-24)26(33)32-9-7-31(8-10-32)25-6-5-23(18-29-25)30-27(34)28-15-19-11-20(16-28)13-21(12-19)17-28/h2-6,14,18-21H,7-13,15-17H2,1H3,(H,30,34)