3-methyl-1-[1-(4-methylphenyl)-7-[(4-pyrrolidin-1-ylcarbonyl-1,3-thiazol-2-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 3-methyl-1-[1-(4-methylphenyl)-7-[(4-pyrrolidin-1-ylcarbonyl-1,3-thiazol-2-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 3-methyl-1-[1-(p-tolyl)-7-[[4-(pyrrolidine-1-carbonyl)thiazol-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 3-methyl-1-[1-(4-methylphenyl)-7-[[4-[oxo(1-pyrrolidinyl)methyl]-2-thiazolyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 3-methyl-1-[1-(4-methylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 3-methyl-1-[1-(p-tolyl)-7-[[4-(pyrrolidine-1-carbonyl)thiazol-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC4=NC(=CS4)C(=O)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC4=NC(=CS4)C(=O)N5CCCC5

InChI

InChI=1S/C30H35N3O3S/c1-20(2)16-28(34)33-15-12-22-10-11-24(17-25(22)29(33)23-8-6-21(3)7-9-23)36-18-27-31-26(19-37-27)30(35)32-13-4-5-14-32/h6-11,17,19-20,29H,4-5,12-16,18H2,1-3H3