3-azanyl-2-[4-[(2-bromanylphenoxy)methyl]phenyl]quinazolin-4-one

Systemtic Name: 3-azanyl-2-[4-[(2-bromanylphenoxy)methyl]phenyl]quinazolin-4-one Openeye Name: 3-amino-2-[4-[(2-bromophenoxy)methyl]phenyl]quinazolin-4-one CAS Name: 3-amino-2-[4-[(2-bromophenoxy)methyl]phenyl]-4-quinazolinone IUPAC Name: 3-amino-2-[4-[(2-bromophenoxy)methyl]phenyl]quinazolin-4-one Traditional Name: 3-amino-2-[4-[(2-bromophenoxy)methyl]phenyl]quinazolin-4-one Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)COC4=CC=CC=C4Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)COC4=CC=CC=C4Br)N

InChI

InChI=1S/C21H16BrN3O2/c22-17-6-2-4-8-19(17)27-13-14-9-11-15(12-10-14)20-24-18-7-3-1-5-16(18)21(26)25(20)23/h1-12H,13,23H2