N-(2-bromanyl-4-methyl-phenyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-2-(2-methoxyethyl)-3-(1-methyl-3-indolyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-keto-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C29H28BrN3O3 MolecularWeight: 546.45492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CN(C5=CC=CC=C54)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CN(C5=CC=CC=C54)C)Br

InChI

InChI=1S/C29H28BrN3O3/c1-18-12-13-24(23(30)16-18)31-28(34)26-20-9-4-5-10-21(20)29(35)33(14-15-36-3)27(26)22-17-32(2)25-11-7-6-8-19(22)25/h4-13,16-17,26-27H,14-15H2,1-3H3,(H,31,34)