3-[4-(2-bromanyl-4-methyl-phenoxy)butyl]quinazolin-4-one

Systemtic Name: 3-[4-(2-bromanyl-4-methyl-phenoxy)butyl]quinazolin-4-one Openeye Name: 3-[4-(2-bromo-4-methyl-phenoxy)butyl]quinazolin-4-one CAS Name: 3-[4-(2-bromo-4-methylphenoxy)butyl]-4-quinazolinone IUPAC Name: 3-[4-(2-bromo-4-methylphenoxy)butyl]quinazolin-4-one Traditional Name: 3-[4-(2-bromo-4-methyl-phenoxy)butyl]quinazolin-4-one Formula: C19H19BrN2O2 MolecularWeight: 387.27036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCN2C=NC3=CC=CC=C3C2=O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCN2C=NC3=CC=CC=C3C2=O)Br

InChI

InChI=1S/C19H19BrN2O2/c1-14-8-9-18(16(20)12-14)24-11-5-4-10-22-13-21-17-7-3-2-6-15(17)19(22)23/h2-3,6-9,12-13H,4-5,10-11H2,1H3