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

Systemtic Name: N-cyclopropyl-3-[7-[3-(3-fluoranylpiperidin-1-yl)propoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[7-[3-(3-fluoro-1-piperidyl)propoxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[7-[3-(3-fluoro-1-piperidinyl)propoxy]-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[7-[3-(3-fluoropiperidin-1-yl)propoxy]-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[7-[3-(3-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)OCCCN5CCCC(C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN5CCCC(C5)F

InChI

InChI=1S/C28H32FN3O3/c1-19-5-6-21(27(33)30-23-8-9-23)16-26(19)32-14-11-20-7-10-24(17-25(20)28(32)34)35-15-3-13-31-12-2-4-22(29)18-31/h5-7,10-11,14,16-17,22-23H,2-4,8-9,12-13,15,18H2,1H3,(H,30,33)