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

Systemtic Name: 6-[1-[(2S)-2-azanyl-3-(4-chlorophenyl)propanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one Openeye Name: 6-[[1-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]-4-piperidyl]oxy]-2H-isoquinolin-1-one CAS Name: 6-[[1-[(2S)-2-amino-3-(4-chlorophenyl)-1-oxopropyl]-4-piperidinyl]oxy]-2H-isoquinolin-1-one IUPAC Name: 6-[1-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one Traditional Name: 6-[[1-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]-4-piperidyl]oxy]isocarbostyril Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)NC=C3)C(=O)C(CC4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)NC=C3)C(=O)[C@H](CC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C23H24ClN3O3/c24-17-3-1-15(2-4-17)13-21(25)23(29)27-11-8-18(9-12-27)30-19-5-6-20-16(14-19)7-10-26-22(20)28/h1-7,10,14,18,21H,8-9,11-13,25H2,(H,26,28)/t21-/m0/s1