N-[1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-(4-p-anisoylpiperazine-1-carbonyl)propyl]adamantane-1-carboxamide Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H39N3O4/c1-18(2)24(29-27(34)28-15-19-12-20(16-28)14-21(13-19)17-28)26(33)31-10-8-30(9-11-31)25(32)22-4-6-23(35-3)7-5-22/h4-7,18-21,24H,8-17H2,1-3H3,(H,29,34)