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

Systemtic Name: N-[3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[4-(3-methylphenyl)-1-piperazinyl]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[4-(m-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=C1)N2CCN(CC2)C(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(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)30-9-7-29(8-10-30)23-6-4-5-19(3)11-23/h4-6,11,18,20-22,24H,7-10,12-17H2,1-3H3,(H,28,32)