3-(4-tert-butylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[4-(2-pyrazinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-tert-butylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-(4-pyrazin-2-ylpiperazino)propan-1-one Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C21H28N4O/c1-21(2,3)18-7-4-17(5-8-18)6-9-20(26)25-14-12-24(13-15-25)19-16-22-10-11-23-19/h4-5,7-8,10-11,16H,6,9,12-15H2,1-3H3