2-methyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentan-1-one

Systemtic Name: 2-methyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentan-1-one Openeye Name: 2-methyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentan-1-one CAS Name: 5-[(4-mercapto-2-pyrrolidinyl)methylamino]-2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1-pentanone IUPAC Name: 2-methyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentan-1-one Traditional Name: 5-[(4-mercaptopyrrolidin-2-yl)methylamino]-2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentan-1-one Formula: C20H31N3OS MolecularWeight: 361.54464

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNCC1CC(CN1)S)C(=O)C2C3=CC=CC=C3CCN2

Isomeric SMILES

CC(CCCNCC1CC(CN1)S)C(=O)C2C3=CC=CC=C3CCN2

InChI

InChI=1S/C20H31N3OS/c1-14(5-4-9-21-12-16-11-17(25)13-23-16)20(24)19-18-7-3-2-6-15(18)8-10-22-19/h2-3,6-7,14,16-17,19,21-23,25H,4-5,8-13H2,1H3