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

Systemtic Name: [4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Openeye Name: [4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone CAS Name: [4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-(4-pentylphenyl)methanone IUPAC Name: [4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]methanone Formula: C27H31FN4O MolecularWeight: 446.559643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H31FN4O/c1-3-4-5-7-21-10-12-22(13-11-21)27(33)32-16-14-31(15-17-32)25-18-20(2)29-26(30-25)23-8-6-9-24(28)19-23/h6,8-13,18-19H,3-5,7,14-17H2,1-2H3