1-[4-[2-(4,4-dimethylcyclohexyl)-4-morpholin-4-yl-phenyl]piperazin-1-yl]butan-2-one

Systemtic Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-morpholin-4-yl-phenyl]piperazin-1-yl]butan-2-one Openeye Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-morpholino-phenyl]piperazin-1-yl]butan-2-one CAS Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-(4-morpholinyl)phenyl]-1-piperazinyl]-2-butanone IUPAC Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-morpholin-4-ylphenyl]piperazin-1-yl]butan-2-one Traditional Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-morpholino-phenyl]piperazino]butan-2-one Formula: C26H41N3O2 MolecularWeight: 427.62264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)N3CCOCC3)C4CCC(CC4)(C)C

Isomeric SMILES

CCC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)N3CCOCC3)C4CCC(CC4)(C)C

InChI

InChI=1S/C26H41N3O2/c1-4-23(30)20-27-11-13-29(14-12-27)25-6-5-22(28-15-17-31-18-16-28)19-24(25)21-7-9-26(2,3)10-8-21/h5-6,19,21H,4,7-18,20H2,1-3H3