(E)-3-(4-tert-butylphenyl)-1-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-tert-butylphenyl)-1-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(4-tert-butylphenyl)-1-[4-[4-(4-pyridyl)piperazin-1-yl]phenyl]prop-2-en-1-one CAS Name: (E)-3-(4-tert-butylphenyl)-1-[4-(4-pyridin-4-yl-1-piperazinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-tert-butylphenyl)-1-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(4-tert-butylphenyl)-1-[4-[4-(4-pyridyl)piperazino]phenyl]prop-2-en-1-one Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C28H31N3O/c1-28(2,3)24-9-4-22(5-10-24)6-13-27(32)23-7-11-25(12-8-23)30-18-20-31(21-19-30)26-14-16-29-17-15-26/h4-17H,18-21H2,1-3H3/b13-6+