4-[3-[(4-bromophenyl)amino]-2-oxidanyl-propoxy]-2H-phthalazin-1-one

Systemtic Name: 4-[3-[(4-bromophenyl)amino]-2-oxidanyl-propoxy]-2H-phthalazin-1-one Openeye Name: 4-[3-(4-bromoanilino)-2-hydroxy-propoxy]-2H-phthalazin-1-one CAS Name: 4-[3-(4-bromoanilino)-2-hydroxypropoxy]-2H-phthalazin-1-one IUPAC Name: 4-[3-(4-bromoanilino)-2-hydroxypropoxy]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-bromoanilino)-2-hydroxy-propoxy]-2H-phthalazin-1-one Formula: C17H16BrN3O3 MolecularWeight: 390.23124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2OCC(CNC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2OCC(CNC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H16BrN3O3/c18-11-5-7-12(8-6-11)19-9-13(22)10-24-17-15-4-2-1-3-14(15)16(23)20-21-17/h1-8,13,19,22H,9-10H2,(H,20,23)