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

Systemtic Name: 2-azanyl-3-methyl-1-[2-methyl-4-[1-(triphenylmethyl)sulfanylpyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-1-yl]butan-1-one Openeye Name: 2-amino-3-methyl-1-[2-methyl-4-(1-tritylsulfanylpyrrolidin-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]butan-1-one CAS Name: 2-amino-3-methyl-1-[2-methyl-4-[1-[(triphenylmethyl)thio]-2-pyrrolidinyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-butanone IUPAC Name: 2-amino-3-methyl-1-[2-methyl-4-(1-tritylsulfanylpyrrolidin-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]butan-1-one Traditional Name: 2-amino-3-methyl-1-[2-methyl-4-[1-(tritylthio)pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-1-yl]butan-1-one Formula: C38H43N3OS MolecularWeight: 589.83252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2C(CN1C)C3CCCN3SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2C(CN1C)C3CCCN3SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N

InChI

InChI=1S/C38H43N3OS/c1-27(2)35(39)37(42)36-32-23-14-13-22-31(32)33(26-40(36)3)34-24-15-25-41(34)43-38(28-16-7-4-8-17-28,29-18-9-5-10-19-29)30-20-11-6-12-21-30/h4-14,16-23,27,33-36H,15,24-26,39H2,1-3H3