2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-yl-piperazin-1-yl]carbonyl-6-methyl-chromen-4-one

Systemtic Name: 2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-yl-piperazin-1-yl]carbonyl-6-methyl-chromen-4-one Openeye Name: 2-[(2S)-4-[(2-fluorophenyl)methyl]-2-isopropyl-piperazine-1-carbonyl]-6-methyl-chromen-4-one CAS Name: 2-[[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-yl-1-piperazinyl]-oxomethyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]-6-methylchromen-4-one Traditional Name: 2-[(2S)-4-(2-fluorobenzyl)-2-isopropyl-piperazine-1-carbonyl]-6-methyl-chromone Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(CC3C(C)C)CC4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(C[C@@H]3C(C)C)CC4=CC=CC=C4F

InChI

InChI=1S/C25H27FN2O3/c1-16(2)21-15-27(14-18-6-4-5-7-20(18)26)10-11-28(21)25(30)24-13-22(29)19-12-17(3)8-9-23(19)31-24/h4-9,12-13,16,21H,10-11,14-15H2,1-3H3/t21-/m1/s1