N-cyclopropyl-3-[7-[3-(4-fluoranylpiperidin-1-yl)propoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[7-[3-(4-fluoranylpiperidin-1-yl)propoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[7-[3-(4-fluoro-1-piperidyl)propoxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[7-[3-(4-fluoro-1-piperidinyl)propoxy]-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[7-[3-(4-fluoropiperidin-1-yl)propoxy]-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[7-[3-(4-fluoropiperidino)propoxy]-1-keto-2-isoquinolyl]-4-methyl-benzamide Formula: C28H32FN3O3 MolecularWeight: 477.570383

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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)OCCCN5CCC(CC5)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN5CCC(CC5)F

InChI

InChI=1S/C28H32FN3O3/c1-19-3-4-21(27(33)30-23-6-7-23)17-26(19)32-15-9-20-5-8-24(18-25(20)28(32)34)35-16-2-12-31-13-10-22(29)11-14-31/h3-5,8-9,15,17-18,22-23H,2,6-7,10-14,16H2,1H3,(H,30,33)