cyclobutyl-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: cyclobutyl-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: cyclobutyl-[4-[6-ethyl-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: cyclobutyl-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: cyclobutyl-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: cyclobutyl-[4-[6-ethyl-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]methanone Formula: C29H34N4O MolecularWeight: 454.60646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCC4)CC5=CC=CC(=C5)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCC4)CC5=CC=CC(=C5)C

InChI

InChI=1S/C29H34N4O/c1-3-26-25(20-22-10-7-9-21(2)19-22)28(31-27(30-26)23-11-5-4-6-12-23)32-15-17-33(18-16-32)29(34)24-13-8-14-24/h4-7,9-12,19,24H,3,8,13-18,20H2,1-2H3