8-[2-[(2R)-4-(7-fluoranyl-2-methyl-quinolin-5-yl)-2-methyl-piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one

Systemtic Name: 8-[2-[(2R)-4-(7-fluoranyl-2-methyl-quinolin-5-yl)-2-methyl-piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one Openeye Name: 8-[2-[(2R)-4-(7-fluoro-2-methyl-5-quinolyl)-2-methyl-piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one CAS Name: 8-[2-[(2R)-4-(7-fluoro-2-methyl-5-quinolinyl)-2-methyl-1-piperazinyl]ethyl]-4-methyl-1,4-benzoxazin-3-one IUPAC Name: 8-[2-[(2R)-4-(7-fluoro-2-methylquinolin-5-yl)-2-methylpiperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one Traditional Name: 8-[2-[(2R)-4-(7-fluoro-2-methyl-5-quinolyl)-2-methyl-piperazino]ethyl]-4-methyl-1,4-benzoxazin-3-one Formula: C26H29FN4O2 MolecularWeight: 448.532463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCC2=C3C(=CC=C2)N(C(=O)CO3)C)C4=C5C=CC(=NC5=CC(=C4)F)C

Isomeric SMILES

C[C@@H]1CN(CCN1CCC2=C3C(=CC=C2)N(C(=O)CO3)C)C4=C5C=CC(=NC5=CC(=C4)F)C

InChI

InChI=1S/C26H29FN4O2/c1-17-7-8-21-22(28-17)13-20(27)14-24(21)31-12-11-30(18(2)15-31)10-9-19-5-4-6-23-26(19)33-16-25(32)29(23)3/h4-8,13-14,18H,9-12,15-16H2,1-3H3/t18-/m1/s1