(4-butylphenyl)-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-butylphenyl)-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-butylphenyl)-[4-[6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-butylphenyl)-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C27H32N4O MolecularWeight: 428.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H32N4O/c1-4-5-6-22-9-13-24(14-10-22)27(32)31-17-15-30(16-18-31)25-19-21(3)28-26(29-25)23-11-7-20(2)8-12-23/h7-14,19H,4-6,15-18H2,1-3H3