4-[4-(6-azanylpyridin-2-yl)-2-methyl-phenyl]-1-(4-fluorophenyl)-1-piperazin-1-yl-butan-2-one

Systemtic Name: 4-[4-(6-azanylpyridin-2-yl)-2-methyl-phenyl]-1-(4-fluorophenyl)-1-piperazin-1-yl-butan-2-one Openeye Name: 4-[4-(6-amino-2-pyridyl)-2-methyl-phenyl]-1-(4-fluorophenyl)-1-piperazin-1-yl-butan-2-one CAS Name: 4-[4-(6-amino-2-pyridinyl)-2-methylphenyl]-1-(4-fluorophenyl)-1-(1-piperazinyl)-2-butanone IUPAC Name: 4-[4-(6-aminopyridin-2-yl)-2-methylphenyl]-1-(4-fluorophenyl)-1-piperazin-1-ylbutan-2-one Traditional Name: 4-[4-(6-amino-2-pyridyl)-2-methyl-phenyl]-1-(4-fluorophenyl)-1-piperazino-butan-2-one Formula: C26H29FN4O MolecularWeight: 432.533063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=CC=C2)N)CCC(=O)C(C3=CC=C(C=C3)F)N4CCNCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=CC=C2)N)CCC(=O)C(C3=CC=C(C=C3)F)N4CCNCC4

InChI

InChI=1S/C26H29FN4O/c1-18-17-21(23-3-2-4-25(28)30-23)6-5-19(18)9-12-24(32)26(31-15-13-29-14-16-31)20-7-10-22(27)11-8-20/h2-8,10-11,17,26,29H,9,12-16H2,1H3,(H2,28,30)