3-bromanyl-5-[6-[(1-ethanoylpiperidin-4-yl)amino]-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid

Systemtic Name: 3-bromanyl-5-[6-[(1-ethanoylpiperidin-4-yl)amino]-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 3-[6-[(1-acetyl-4-piperidyl)amino]-1,3-dioxo-benzo[de]isoquinolin-2-yl]-5-bromo-benzoic acid CAS Name: 3-[6-[(1-acetyl-4-piperidinyl)amino]-1,3-dioxo-2-benzo[de]isoquinolinyl]-5-bromobenzoic acid IUPAC Name: 3-[6-[(1-acetylpiperidin-4-yl)amino]-1,3-dioxobenzo[de]isoquinolin-2-yl]-5-bromobenzoic acid Traditional Name: 3-[6-[(1-acetyl-4-piperidyl)amino]-1,3-diketo-benzo[de]isoquinolin-2-yl]-5-bromo-benzoic acid Formula: C26H22BrN3O5 MolecularWeight: 536.37398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)NC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC(=CC(=C5)C(=O)O)Br

Isomeric SMILES

CC(=O)N1CCC(CC1)NC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC(=CC(=C5)C(=O)O)Br

InChI

InChI=1S/C26H22BrN3O5/c1-14(31)29-9-7-17(8-10-29)28-22-6-5-21-23-19(22)3-2-4-20(23)24(32)30(25(21)33)18-12-15(26(34)35)11-16(27)13-18/h2-6,11-13,17,28H,7-10H2,1H3,(H,34,35)