6-[1-[(2S)-2-azanyl-3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[1-[(2S)-2-azanyl-3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[[1-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-4-piperidyl]oxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[[1-[(2S)-2-amino-3-(4-fluorophenyl)-1-oxopropyl]-4-piperidinyl]oxy]-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[1-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[[1-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-4-piperidyl]oxy]-7-chloro-isocarbostyril Formula: C23H23ClFN3O3 MolecularWeight: 443.898423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C(=O)C(CC4=CC=C(C=C4)F)N

Isomeric SMILES

C1CN(CCC1OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C(=O)[C@H](CC4=CC=C(C=C4)F)N

InChI

InChI=1S/C23H23ClFN3O3/c24-19-13-18-15(5-8-27-22(18)29)12-21(19)31-17-6-9-28(10-7-17)23(30)20(26)11-14-1-3-16(25)4-2-14/h1-5,8,12-13,17,20H,6-7,9-11,26H2,(H,27,29)/t20-/m0/s1