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

Systemtic Name: cyclopropyl-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[6-ethyl-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[6-ethyl-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]methanone Formula: C28H32N4O MolecularWeight: 440.57988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CC4)CC5=CC=CC(=C5)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CC4)CC5=CC=CC(=C5)C

InChI

InChI=1S/C28H32N4O/c1-3-25-24(19-21-9-7-8-20(2)18-21)27(30-26(29-25)22-10-5-4-6-11-22)31-14-16-32(17-15-31)28(33)23-12-13-23/h4-11,18,23H,3,12-17,19H2,1-2H3