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

Systemtic Name: 3-[5-(2-bromanyl-4,6-dimethyl-phenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 3-[5-(2-bromo-4,6-dimethyl-phenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one CAS Name: 3-[5-(2-bromo-4,6-dimethylphenoxy)pentyl]-2-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 3-[5-(2-bromo-4,6-dimethylphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 3-[5-(2-bromo-4,6-dimethyl-phenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one Formula: C28H29BrN2O3 MolecularWeight: 521.44546

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29BrN2O3/c1-19-17-20(2)26(24(29)18-19)34-16-8-4-7-15-31-27(21-11-13-22(33-3)14-12-21)30-25-10-6-5-9-23(25)28(31)32/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3