6-[1-[(2R)-2-azanylpentanoyl]piperidin-4-yl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[1-[(2R)-2-azanylpentanoyl]piperidin-4-yl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[[1-[(2R)-2-aminopentanoyl]-4-piperidyl]oxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[[1-[(2R)-2-amino-1-oxopentyl]-4-piperidinyl]oxy]-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[1-[(2R)-2-aminopentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[[1-[(2R)-2-aminopentanoyl]-4-piperidyl]oxy]-7-chloro-isocarbostyril Formula: C19H24ClN3O3 MolecularWeight: 377.86516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

Isomeric SMILES

CCC[C@H](C(=O)N1CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

InChI

InChI=1S/C19H24ClN3O3/c1-2-3-16(21)19(25)23-8-5-13(6-9-23)26-17-10-12-4-7-22-18(24)14(12)11-15(17)20/h4,7,10-11,13,16H,2-3,5-6,8-9,21H2,1H3,(H,22,24)/t16-/m1/s1