4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N-methoxy-N-methyl-benzamide

Systemtic Name: 4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N-methoxy-N-methyl-benzamide Openeye Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-methoxy-N-methyl-benzamide CAS Name: 4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]-N-methoxy-N-methylbenzamide IUPAC Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-methoxy-N-methylbenzamide Traditional Name: 4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)-N-methoxy-N-methyl-benzamide Formula: C28H25BrN2O4 MolecularWeight: 533.4131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)N(C)OC)C=CC(=C2)Br)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)N(C)OC)C=CC(=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C28H25BrN2O4/c1-4-24(32)26-25(18-8-6-5-7-9-18)23-16-22(29)15-14-21(23)17-31(26)28(34)20-12-10-19(11-13-20)27(33)30(2)35-3/h5-16H,4,17H2,1-3H3