3-[5-(2-bromanyl-4,6-dimethyl-phenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4-one

Systemtic Name: 3-[5-(2-bromanyl-4,6-dimethyl-phenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4-one Openeye Name: 3-[5-(2-bromo-4,6-dimethyl-phenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4-one CAS Name: 3-[5-(2-bromo-4,6-dimethylphenoxy)pentyl]-2-(4-chlorophenyl)-4-quinazolinone IUPAC Name: 3-[5-(2-bromo-4,6-dimethylphenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4-one Traditional Name: 3-[5-(2-bromo-4,6-dimethyl-phenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4-one Formula: C27H26BrClN2O2 MolecularWeight: 525.86454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H26BrClN2O2/c1-18-16-19(2)25(23(28)17-18)33-15-7-3-6-14-31-26(20-10-12-21(29)13-11-20)30-24-9-5-4-8-22(24)27(31)32/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3