8-bromanyl-7-butoxy-6-(2-methylphenyl)-4-phenyl-2H-phthalazin-1-one

Systemtic Name: 8-bromanyl-7-butoxy-6-(2-methylphenyl)-4-phenyl-2H-phthalazin-1-one Openeye Name: 8-bromo-7-butoxy-6-(o-tolyl)-4-phenyl-2H-phthalazin-1-one CAS Name: 8-bromo-7-butoxy-6-(2-methylphenyl)-4-phenyl-2H-phthalazin-1-one IUPAC Name: 8-bromo-7-butoxy-6-(2-methylphenyl)-4-phenyl-2H-phthalazin-1-one Traditional Name: 8-bromo-7-butoxy-6-(o-tolyl)-4-phenyl-2H-phthalazin-1-one Formula: C25H23BrN2O2 MolecularWeight: 463.36632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1Br)C(=O)NN=C2C3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1Br)C(=O)NN=C2C3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C25H23BrN2O2/c1-3-4-14-30-24-19(18-13-9-8-10-16(18)2)15-20-21(22(24)26)25(29)28-27-23(20)17-11-6-5-7-12-17/h5-13,15H,3-4,14H2,1-2H3,(H,28,29)