methyl 6-bromanyl-2-[2-[(1-methylindol-2-yl)carbonylamino]ethyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 6-bromanyl-2-[2-[(1-methylindol-2-yl)carbonylamino]ethyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-2-[2-[(1-methylindole-2-carbonyl)amino]ethyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-bromo-2-[2-[[(1-methyl-2-indolyl)-oxomethyl]amino]ethyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-[2-[(1-methylindole-2-carbonyl)amino]ethyl]-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-2-[2-[(1-methylindole-2-carbonyl)amino]ethyl]-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C29H24BrN3O4 MolecularWeight: 558.42256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NCCN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NCCN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C29H24BrN3O4/c1-32-23-11-7-6-10-19(23)16-24(32)27(34)31-14-15-33-26(29(36)37-2)25(18-8-4-3-5-9-18)22-17-20(30)12-13-21(22)28(33)35/h3-13,16-17H,14-15H2,1-2H3,(H,31,34)