3-(3-chloranyl-4-methyl-phenyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C25H26ClNO3S MolecularWeight: 455.99684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)Cl

InChI

InChI=1S/C25H26ClNO3S/c1-16-6-7-17(13-20(16)26)8-9-24(28)27-11-10-18-14-21(29-2)22(30-3)15-19(18)25(27)23-5-4-12-31-23/h4-7,12-15,25H,8-11H2,1-3H3