N-[(2S)-1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzamide Openeye Name: N-[(1S)-1-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-[(2S)-1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide Traditional Name: N-[(1S)-1-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-methyl-benzamide Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H39N3O3/c1-18(2)24(29-25(32)23-6-4-19(3)5-7-23)26(33)30-8-10-31(11-9-30)27(34)28-15-20-12-21(16-28)14-22(13-20)17-28/h4-7,18,20-22,24H,8-17H2,1-3H3,(H,29,32)/t20?,21?,22?,24-,28?/m0/s1