3-[4-(1-adamantyl)piperazin-1-yl]carbonyl-2-cyclopropyl-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one

Systemtic Name: 3-[4-(1-adamantyl)piperazin-1-yl]carbonyl-2-cyclopropyl-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one Openeye Name: 3-[4-(1-adamantyl)piperazine-1-carbonyl]-2-cyclopropyl-6-methyl-1-(2-thienylmethyl)pyridin-4-one CAS Name: 3-[[4-(1-adamantyl)-1-piperazinyl]-oxomethyl]-2-cyclopropyl-6-methyl-1-(thiophen-2-ylmethyl)-4-pyridinone IUPAC Name: 3-[4-(1-adamantyl)piperazine-1-carbonyl]-2-cyclopropyl-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one Traditional Name: 3-[4-(1-adamantyl)piperazine-1-carbonyl]-2-cyclopropyl-6-methyl-1-(2-thenyl)-4-pyridone Formula: C29H37N3O2S MolecularWeight: 491.68798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CS2)C3CC3)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CS2)C3CC3)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H37N3O2S/c1-19-11-25(33)26(27(23-4-5-23)32(19)18-24-3-2-10-35-24)28(34)30-6-8-31(9-7-30)29-15-20-12-21(16-29)14-22(13-20)17-29/h2-3,10-11,20-23H,4-9,12-18H2,1H3