N-cyclopropyl-3-[7-[2-[(3S)-3-fluoranylpyrrolidin-1-yl]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[7-[2-[(3S)-3-fluoranylpyrrolidin-1-yl]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[7-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethoxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[7-[2-[(3S)-3-fluoro-1-pyrrolidinyl]ethoxy]-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[7-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethoxy]-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[7-[2-[(3S)-3-fluoropyrrolidino]ethoxy]-1-keto-2-isoquinolyl]-4-methyl-benzamide Formula: C26H28FN3O3 MolecularWeight: 449.517223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN5CCC(C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN5CC[C@@H](C5)F

InChI

InChI=1S/C26H28FN3O3/c1-17-2-3-19(25(31)28-21-5-6-21)14-24(17)30-11-8-18-4-7-22(15-23(18)26(30)32)33-13-12-29-10-9-20(27)16-29/h2-4,7-8,11,14-15,20-21H,5-6,9-10,12-13,16H2,1H3,(H,28,31)/t20-/m0/s1