1-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-3-(3-oxidanylphenoxy)propan-1-one

Systemtic Name: 1-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-3-(3-oxidanylphenoxy)propan-1-one Openeye Name: 1-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one CAS Name: 1-[4-[1-(4-cyclohexylphenyl)ethyl]-1-piperazinyl]-3-(3-hydroxyphenoxy)-1-propanone IUPAC Name: 1-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one Traditional Name: 1-[4-[1-(4-cyclohexylphenyl)ethyl]piperazino]-3-(3-hydroxyphenoxy)propan-1-one Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CCCCC2)N3CCN(CC3)C(=O)CCOC4=CC=CC(=C4)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2CCCCC2)N3CCN(CC3)C(=O)CCOC4=CC=CC(=C4)O

InChI

InChI=1S/C27H36N2O3/c1-21(22-10-12-24(13-11-22)23-6-3-2-4-7-23)28-15-17-29(18-16-28)27(31)14-19-32-26-9-5-8-25(30)20-26/h5,8-13,20-21,23,30H,2-4,6-7,14-19H2,1H3