methyl 1-[(2-bromanyl-4-methyl-phenyl)amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[(2-bromanyl-4-methyl-phenyl)amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-(2-bromo-4-methyl-anilino)isoquinoline-4-carboxylate CAS Name: 1-(2-bromo-4-methylanilino)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-bromo-4-methylanilino)isoquinoline-4-carboxylate Traditional Name: 1-(2-bromo-4-methyl-anilino)isoquinoline-4-carboxylic acid methyl ester Formula: C18H15BrN2O2 MolecularWeight: 371.2279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)OC)Br

InChI

InChI=1S/C18H15BrN2O2/c1-11-7-8-16(15(19)9-11)21-17-13-6-4-3-5-12(13)14(10-20-17)18(22)23-2/h3-10H,1-2H3,(H,20,21)