6-bromanyl-2-[4-(diethoxyphosphorylmethyl)phenyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[4-(diethoxyphosphorylmethyl)phenyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]quinazolin-4-one CAS Name: 6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]quinazolin-4-one Traditional Name: 3-benzyl-6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]quinazolin-4-one Formula: C26H26BrN2O4P MolecularWeight: 541.373401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CC=C4)OCC

InChI

InChI=1S/C26H26BrN2O4P/c1-3-32-34(31,33-4-2)18-20-10-12-21(13-11-20)25-28-24-15-14-22(27)16-23(24)26(30)29(25)17-19-8-6-5-7-9-19/h5-16H,3-4,17-18H2,1-2H3