N-[6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridin-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-[4-(2-thenoyl)piperazino]-3-pyridyl]adamantane-1-carboxamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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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=CS6

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CS6

InChI

InChI=1S/C25H30N4O2S/c30-23(21-2-1-9-32-21)29-7-5-28(6-8-29)22-4-3-20(16-26-22)27-24(31)25-13-17-10-18(14-25)12-19(11-17)15-25/h1-4,9,16-19H,5-8,10-15H2,(H,27,31)