1-(2-tert-butylphenyl)-4-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 1-(2-tert-butylphenyl)-4-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-(2-tert-butylphenyl)-4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-(2-tert-butylphenyl)-4-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(2-tert-butylphenyl)-4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-(2-tert-butylphenyl)-4-[4-(6-chloropyrazin-2-yl)piperazino]butan-1-one Formula: C22H29ClN4O MolecularWeight: 400.94486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1C(=O)CCCN2CCN(CC2)C3=CN=CC(=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1C(=O)CCCN2CCN(CC2)C3=CN=CC(=N3)Cl

InChI

InChI=1S/C22H29ClN4O/c1-22(2,3)18-8-5-4-7-17(18)19(28)9-6-10-26-11-13-27(14-12-26)21-16-24-15-20(23)25-21/h4-5,7-8,15-16H,6,9-14H2,1-3H3