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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[1-(phenylmethyl)pyrrolidin-3-yl]isoquinoline-3-carboxylic acid Openeye Name: 2-(1-benzylpyrrolidin-3-yl)-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-[1-(phenylmethyl)-3-pyrrolidinyl]-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1-benzylpyrrolidin-3-yl)-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(1-benzylpyrrolidin-3-yl)-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H23BrN2O3 MolecularWeight: 503.38712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC1N2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C27H23BrN2O3/c28-20-11-12-22-23(15-20)24(19-9-5-2-6-10-19)25(27(32)33)30(26(22)31)21-13-14-29(17-21)16-18-7-3-1-4-8-18/h1-12,15,21H,13-14,16-17H2,(H,32,33)