8-fluoranyl-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-isoquinoline-1-carboxamide

Systemtic Name: 8-fluoranyl-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-isoquinoline-1-carboxamide Openeye Name: 5-[(1S)-2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy]-8-fluoro-N-methyl-isoquinoline-1-carboxamide CAS Name: 5-[(2S)-1-[(2R)-4-benzoyl-2-methyl-1-piperazinyl]-1-oxopropan-2-yl]oxy-8-fluoro-N-methyl-1-isoquinolinecarboxamide IUPAC Name: 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-8-fluoro-N-methylisoquinoline-1-carboxamide Traditional Name: 5-[(1S)-2-[(2R)-4-benzoyl-2-methyl-piperazino]-2-keto-1-methyl-ethoxy]-8-fluoro-N-methyl-isoquinoline-1-carboxamide Formula: C26H27FN4O4 MolecularWeight: 478.515383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)OC2=C3C=CN=C(C3=C(C=C2)F)C(=O)NC)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)[C@H](C)OC2=C3C=CN=C(C3=C(C=C2)F)C(=O)NC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27FN4O4/c1-16-15-30(26(34)18-7-5-4-6-8-18)13-14-31(16)25(33)17(2)35-21-10-9-20(27)22-19(21)11-12-29-23(22)24(32)28-3/h4-12,16-17H,13-15H2,1-3H3,(H,28,32)/t16-,17+/m1/s1