(4-butylphenyl)-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-butylphenyl)-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-(4-butylphenyl)methanone CAS Name: (4-butylphenyl)-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-butylphenyl)methanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-(4-butylphenyl)methanone Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

InChI

InChI=1S/C28H34N4O/c1-4-5-9-23-12-14-25(15-13-23)28(33)32-18-16-31(17-19-32)27-26(21(2)29-22(3)30-27)20-24-10-7-6-8-11-24/h6-8,10-15H,4-5,9,16-20H2,1-3H3