3-[2-[(4-bromophenyl)methyl]-1-oxidanylidene-isoquinolin-6-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[2-[(4-bromophenyl)methyl]-1-oxidanylidene-isoquinolin-6-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[2-[(4-bromophenyl)methyl]-1-oxo-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[2-[(4-bromophenyl)methyl]-1-oxo-6-isoquinolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[2-[(4-bromophenyl)methyl]-1-oxoisoquinolin-6-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[2-(4-bromobenzyl)-1-keto-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide Formula: C27H23BrN2O2 MolecularWeight: 487.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C27H23BrN2O2/c1-17-2-5-21(26(31)29-23-9-10-23)15-25(17)19-6-11-24-20(14-19)12-13-30(27(24)32)16-18-3-7-22(28)8-4-18/h2-8,11-15,23H,9-10,16H2,1H3,(H,29,31)