5-bromanyl-6-butoxy-4-chloranyl-7-(2-methylphenyl)-1-phenyl-phthalazine

Systemtic Name: 5-bromanyl-6-butoxy-4-chloranyl-7-(2-methylphenyl)-1-phenyl-phthalazine Openeye Name: 5-bromo-6-butoxy-4-chloro-7-(o-tolyl)-1-phenyl-phthalazine CAS Name: 5-bromo-6-butoxy-4-chloro-7-(2-methylphenyl)-1-phenylphthalazine IUPAC Name: 5-bromo-6-butoxy-4-chloro-7-(2-methylphenyl)-1-phenylphthalazine Traditional Name: 5-bromo-6-butoxy-4-chloro-7-(o-tolyl)-1-phenyl-phthalazine Formula: C25H22BrClN2O MolecularWeight: 481.81198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrClN2O/c1-3-4-14-30-24-19(18-13-9-8-10-16(18)2)15-20-21(22(24)26)25(27)29-28-23(20)17-11-6-5-7-12-17/h5-13,15H,3-4,14H2,1-2H3