2-azanyl-3,3-dimethyl-1-[4-methyl-3-(4-oxidanylpyrrolidin-2-yl)carbonyl-isoquinolin-1-yl]butan-1-one

Systemtic Name: 2-azanyl-3,3-dimethyl-1-[4-methyl-3-(4-oxidanylpyrrolidin-2-yl)carbonyl-isoquinolin-1-yl]butan-1-one Openeye Name: 2-amino-1-[3-(4-hydroxypyrrolidine-2-carbonyl)-4-methyl-1-isoquinolyl]-3,3-dimethyl-butan-1-one CAS Name: 2-amino-1-[3-[(4-hydroxy-2-pyrrolidinyl)-oxomethyl]-4-methyl-1-isoquinolinyl]-3,3-dimethyl-1-butanone IUPAC Name: 2-amino-1-[3-(4-hydroxypyrrolidine-2-carbonyl)-4-methylisoquinolin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 2-amino-1-[3-(4-hydroxyprolyl)-4-methyl-1-isoquinolyl]-3,3-dimethyl-butan-1-one Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C2=CC=CC=C12)C(=O)C(C(C)(C)C)N)C(=O)C3CC(CN3)O

Isomeric SMILES

CC1=C(N=C(C2=CC=CC=C12)C(=O)C(C(C)(C)C)N)C(=O)C3CC(CN3)O

InChI

InChI=1S/C21H27N3O3/c1-11-13-7-5-6-8-14(13)17(19(27)20(22)21(2,3)4)24-16(11)18(26)15-9-12(25)10-23-15/h5-8,12,15,20,23,25H,9-10,22H2,1-4H3