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

Systemtic Name: N-[6-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-(4-veratroylpiperazino)-3-pyridyl]adamantane-1-carboxamide Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O4/c1-36-24-5-3-22(14-25(24)37-2)27(34)33-9-7-32(8-10-33)26-6-4-23(18-30-26)31-28(35)29-15-19-11-20(16-29)13-21(12-19)17-29/h3-6,14,18-21H,7-13,15-17H2,1-2H3,(H,31,35)