(4-butylphenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-butylphenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-butylphenyl)-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-butylphenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c1-4-5-8-22-10-12-23(13-11-22)27(32)31-16-14-30(15-17-31)25-19-21(3)28-26(29-25)24-9-6-7-20(2)18-24/h6-7,9-13,18-19H,4-5,8,14-17H2,1-3H3