3-[7-bromanyl-4-(dipyridin-4-ylmethyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[7-bromanyl-4-(dipyridin-4-ylmethyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]pyrrolidine-1-carboxylic acid Openeye Name: 3-[4-[bis(4-pyridyl)methyl]-7-bromo-1,3-dioxo-4H-isoquinolin-2-yl]pyrrolidine-1-carboxylic acid CAS Name: 3-[7-bromo-4-(dipyridin-4-ylmethyl)-1,3-dioxo-4H-isoquinolin-2-yl]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[7-bromo-4-(dipyridin-4-ylmethyl)-1,3-dioxo-4H-isoquinolin-2-yl]pyrrolidine-1-carboxylic acid Traditional Name: 3-[4-[bis(4-pyridyl)methyl]-7-bromo-1,3-diketo-4H-isoquinolin-2-yl]pyrrolidine-1-carboxylic acid Formula: C25H21BrN4O4 MolecularWeight: 521.36264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN4O4/c26-17-1-2-19-20(13-17)23(31)30(18-7-12-29(14-18)25(33)34)24(32)22(19)21(15-3-8-27-9-4-15)16-5-10-28-11-6-16/h1-6,8-11,13,18,21-22H,7,12,14H2,(H,33,34)