N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]carbonylphenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]carbonylphenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-isobutyrylpiperazine-1-carbonyl)phenyl]adamantane-1-carboxamide Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3/c1-17(2)23(30)28-7-9-29(10-8-28)24(31)21-3-5-22(6-4-21)27-25(32)26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,17-20H,7-16H2,1-2H3,(H,27,32)