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

Systemtic Name: (4-butylphenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-(4-butylphenyl)methanone CAS Name: (4-butylphenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-butylphenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-(4-butylphenyl)methanone Formula: C29H36N4O MolecularWeight: 456.62234

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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)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O/c1-4-6-10-23-13-15-25(16-14-23)29(34)33-19-17-32(18-20-33)28-26(21-24-11-8-7-9-12-24)27(5-2)30-22(3)31-28/h7-9,11-16H,4-6,10,17-21H2,1-3H3