4-azanyl-3,3-dimethyl-1-[2-methyl-3-[1-(triphenylmethyl)sulfanylpyrrolidin-2-yl]-1H-isoquinolin-1-yl]butan-1-one

Systemtic Name: 4-azanyl-3,3-dimethyl-1-[2-methyl-3-[1-(triphenylmethyl)sulfanylpyrrolidin-2-yl]-1H-isoquinolin-1-yl]butan-1-one Openeye Name: 4-amino-3,3-dimethyl-1-[2-methyl-3-(1-tritylsulfanylpyrrolidin-2-yl)-1H-isoquinolin-1-yl]butan-1-one CAS Name: 4-amino-3,3-dimethyl-1-[2-methyl-3-[1-[(triphenylmethyl)thio]-2-pyrrolidinyl]-1H-isoquinolin-1-yl]-1-butanone IUPAC Name: 4-amino-3,3-dimethyl-1-[2-methyl-3-(1-tritylsulfanylpyrrolidin-2-yl)-1H-isoquinolin-1-yl]butan-1-one Traditional Name: 4-amino-3,3-dimethyl-1-[2-methyl-3-[1-(tritylthio)pyrrolidin-2-yl]-1H-isoquinolin-1-yl]butan-1-one Formula: C39H43N3OS MolecularWeight: 601.84322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1C2=CC=CC=C2C=C(N1C)C3CCCN3SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CN

Isomeric SMILES

CC(C)(CC(=O)C1C2=CC=CC=C2C=C(N1C)C3CCCN3SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CN

InChI

InChI=1S/C39H43N3OS/c1-38(2,28-40)27-36(43)37-33-23-14-13-16-29(33)26-35(41(37)3)34-24-15-25-42(34)44-39(30-17-7-4-8-18-30,31-19-9-5-10-20-31)32-21-11-6-12-22-32/h4-14,16-23,26,34,37H,15,24-25,27-28,40H2,1-3H3