1-(4-tert-butylphenyl)-4-[4-(3-fluoranyl-4-phenylmethoxy-phenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-4-[4-(3-fluoranyl-4-phenylmethoxy-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-[4-(4-benzyloxy-3-fluoro-phenyl)piperazin-1-yl]-1-(4-tert-butylphenyl)butan-1-one CAS Name: 1-(4-tert-butylphenyl)-4-[4-(3-fluoro-4-phenylmethoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-(3-fluoro-4-phenylmethoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[4-(4-benzoxy-3-fluoro-phenyl)piperazino]-1-(4-tert-butylphenyl)butan-1-one Formula: C31H37FN2O2 MolecularWeight: 488.636083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

InChI

InChI=1S/C31H37FN2O2/c1-31(2,3)26-13-11-25(12-14-26)29(35)10-7-17-33-18-20-34(21-19-33)27-15-16-30(28(32)22-27)36-23-24-8-5-4-6-9-24/h4-6,8-9,11-16,22H,7,10,17-21,23H2,1-3H3