6-[1-[(2S)-2-azanyl-4-methyl-pentanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one

Systemtic Name: 6-[1-[(2S)-2-azanyl-4-methyl-pentanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one Openeye Name: 6-[[1-[(2S)-2-amino-4-methyl-pentanoyl]-4-piperidyl]oxy]-2H-isoquinolin-1-one CAS Name: 6-[[1-[(2S)-2-amino-4-methyl-1-oxopentyl]-4-piperidinyl]oxy]-2H-isoquinolin-1-one IUPAC Name: 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one Traditional Name: 6-[[1-[(2S)-2-amino-4-methyl-pentanoyl]-4-piperidyl]oxy]isocarbostyril Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)NC=C3)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)NC=C3)N

InChI

InChI=1S/C20H27N3O3/c1-13(2)11-18(21)20(25)23-9-6-15(7-10-23)26-16-3-4-17-14(12-16)5-8-22-19(17)24/h3-5,8,12-13,15,18H,6-7,9-11,21H2,1-2H3,(H,22,24)/t18-/m0/s1