N-(4-butan-2-ylphenyl)-4-(3-fluoranylpyridin-2-yl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(3-fluoranylpyridin-2-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-(3-fluoro-2-pyridyl)-2-methyl-N-(4-sec-butylphenyl)piperazine-1-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-4-(3-fluoro-2-pyridinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(3-fluoropyridin-2-yl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-(3-fluoro-2-pyridyl)-2-methyl-N-(4-sec-butylphenyl)piperazine-1-carboxamide Formula: C21H27FN4O MolecularWeight: 370.463683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2C)C3=C(C=CC=N3)F

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2C)C3=C(C=CC=N3)F

InChI

InChI=1S/C21H27FN4O/c1-4-15(2)17-7-9-18(10-8-17)24-21(27)26-13-12-25(14-16(26)3)20-19(22)6-5-11-23-20/h5-11,15-16H,4,12-14H2,1-3H3,(H,24,27)