1-[4-[3-[4-(2-phenylethanoyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one

Systemtic Name: 1-[4-[3-[4-(2-phenylethanoyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one Openeye Name: 1-[4-[3-[4-(2-phenylacetyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one CAS Name: 1-[4-[3-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]propoxy]phenyl]-1-hexanone IUPAC Name: 1-[4-[3-[4-(2-phenylacetyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one Traditional Name: 1-[4-[3-[4-(2-phenylacetyl)piperazino]propoxy]phenyl]hexan-1-one Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H36N2O3/c1-2-3-5-11-26(30)24-12-14-25(15-13-24)32-21-8-16-28-17-19-29(20-18-28)27(31)22-23-9-6-4-7-10-23/h4,6-7,9-10,12-15H,2-3,5,8,11,16-22H2,1H3