1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-naphthalen-2-yl-butane-1,4-dione

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-naphthalen-2-yl-butane-1,4-dione Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-(2-naphthyl)butane-1,4-dione CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-naphthalenyl)butane-1,4-dione IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-naphthalen-2-ylbutane-1,4-dione Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-(2-naphthyl)butane-1,4-dione Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CS5)OC

InChI

InChI=1S/C29H27NO4S/c1-33-25-17-21-13-14-30(29(27-8-5-15-35-27)23(21)18-26(25)34-2)28(32)12-11-24(31)22-10-9-19-6-3-4-7-20(19)16-22/h3-10,15-18,29H,11-14H2,1-2H3