6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-2-[[4-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]phenyl]methyl]-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-[4-(2-pyrrolidinoethylcarbamoyl)benzyl]isoquinoline-3-carboxylic acid Formula: C30H28BrN3O4 MolecularWeight: 574.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H28BrN3O4/c31-23-12-13-24-25(18-23)26(21-6-2-1-3-7-21)27(30(37)38)34(29(24)36)19-20-8-10-22(11-9-20)28(35)32-14-17-33-15-4-5-16-33/h1-3,6-13,18H,4-5,14-17,19H2,(H,32,35)(H,37,38)