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

Systemtic Name: N-[1-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C27H36ClN3O3 MolecularWeight: 486.04604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36ClN3O3/c1-17(2)23(29-26(34)27-14-18-10-19(15-27)12-20(11-18)16-27)25(33)31-8-6-30(7-9-31)24(32)21-4-3-5-22(28)13-21/h3-5,13,17-20,23H,6-12,14-16H2,1-2H3,(H,29,34)