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

Systemtic Name: [4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-hexylphenyl)methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-(4-hexylphenyl)methanone CAS Name: [4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-(4-hexylphenyl)methanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-hexylphenyl)methanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-(4-hexylphenyl)methanone Formula: C30H38N4O MolecularWeight: 470.64892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

InChI

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