2-[[1-(4-methylphenyl)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 2-[[1-(4-methylphenyl)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[[2-(2-methylpropanoyl)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[[2-(2-methyl-1-oxopropyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[[1-(4-methylphenyl)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[[2-isobutyryl-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidino-butan-1-one Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)C)C(=O)C(C)C)C=C2

Isomeric SMILES

CCC(C(=O)N1CCCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)C)C(=O)C(C)C)C=C2

InChI

InChI=1S/C28H36N2O3/c1-5-25(28(32)29-15-6-7-16-29)33-23-13-12-21-14-17-30(27(31)19(2)3)26(24(21)18-23)22-10-8-20(4)9-11-22/h8-13,18-19,25-26H,5-7,14-17H2,1-4H3