N-[(2S)-3-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[4-(o-tolyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-[4-(2-methylphenyl)-1-piperazinyl]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[4-(o-tolyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N3O2/c1-18(2)24(28-26(32)27-15-20-12-21(16-27)14-22(13-20)17-27)25(31)30-10-8-29(9-11-30)23-7-5-4-6-19(23)3/h4-7,18,20-22,24H,8-17H2,1-3H3,(H,28,32)/t20?,21?,22?,24-,27?/m0/s1