N-(4-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanoylamino]benzamide Openeye Name: N-(4-fluorophenyl)-2-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]acetyl]amino]benzamide CAS Name: N-(4-fluorophenyl)-2-[[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-fluorophenyl)-2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]benzamide Traditional Name: N-(4-fluorophenyl)-2-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]acetyl]amino]benzamide Formula: C27H31FN6O2 MolecularWeight: 490.572443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN6O2/c1-18(2)26-29-19(3)16-24(32-26)34-14-12-33(13-15-34)17-25(35)31-23-7-5-4-6-22(23)27(36)30-21-10-8-20(28)9-11-21/h4-11,16,18H,12-15,17H2,1-3H3,(H,30,36)(H,31,35)