[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-(2-naphthyl)methanone CAS Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-(2-naphthalenyl)methanone IUPAC Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]-(2-naphthyl)methanone Formula: C29H29FN4O MolecularWeight: 468.565163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

InChI

InChI=1S/C29H29FN4O/c1-3-27-26(18-21-7-6-10-25(30)17-21)28(32-20(2)31-27)33-13-15-34(16-14-33)29(35)24-12-11-22-8-4-5-9-23(22)19-24/h4-12,17,19H,3,13-16,18H2,1-2H3