2-ethyl-1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one

Systemtic Name: 2-ethyl-1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 2-ethyl-1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]hexan-1-one Formula: C24H34N4O MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C24H34N4O/c1-5-7-10-20(6-2)24(29)28-14-12-27(13-15-28)22-17-19(4)25-23(26-22)21-11-8-9-18(3)16-21/h8-9,11,16-17,20H,5-7,10,12-15H2,1-4H3