N-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(o-tolyl)piperazin-1-yl]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(2-methylphenyl)-1-piperazinyl]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[4-(o-tolyl)piperazino]butyl]adamantane-1-carboxamide Formula: C26H37N3O2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O2/c1-19-5-2-3-6-23(19)28-9-11-29(12-10-28)24(30)7-4-8-27-25(31)26-16-20-13-21(17-26)15-22(14-20)18-26/h2-3,5-6,20-22H,4,7-18H2,1H3,(H,27,31)