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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(diphenylmethyl)butane-1,3-dione Openeye Name: 2-benzhydryl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,3-dione CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(diphenylmethyl)butane-1,3-dione IUPAC Name: 2-benzhydryl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,3-dione Traditional Name: 2-benzhydryl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,3-dione Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(=O)C(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C28H29NO4/c1-19(30)26(27(20-10-6-4-7-11-20)21-12-8-5-9-13-21)28(31)29-15-14-22-16-24(32-2)25(33-3)17-23(22)18-29/h4-13,16-17,26-27H,14-15,18H2,1-3H3