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

Systemtic Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-(4-pentylphenyl)methanone CAS Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-(4-pentylphenyl)methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]methanone Formula: C30H38N4O MolecularWeight: 470.64892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

InChI

InChI=1S/C30H38N4O/c1-4-6-8-11-24-14-16-26(17-15-24)30(35)34-20-18-33(19-21-34)29-27(22-25-12-9-7-10-13-25)28(5-2)31-23(3)32-29/h7,9-10,12-17H,4-6,8,11,18-22H2,1-3H3