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

Systemtic Name: N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[4-(o-tolyl)piperazin-1-yl]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[4-(o-tolyl)piperazino]propyl]adamantane-1-carboxamide Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2/c1-18-4-2-3-5-22(18)27-8-10-28(11-9-27)23(29)6-7-26-24(30)25-15-19-12-20(16-25)14-21(13-19)17-25/h2-5,19-21H,6-17H2,1H3,(H,26,30)