7-bromanyl-2-phenyl-3-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]quinazolin-4-one

Systemtic Name: 7-bromanyl-2-phenyl-3-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]quinazolin-4-one Openeye Name: 7-bromo-2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one CAS Name: 7-bromo-3-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]-2-phenyl-4-quinazolinone IUPAC Name: 7-bromo-2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one Traditional Name: 7-bromo-2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one Formula: C31H26BrN5O2 MolecularWeight: 580.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NN4C(=NC5=C(C4=O)C=CC(=C5)Br)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NN4C(=NC5=C(C4=O)C=CC(=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C31H26BrN5O2/c32-24-13-16-27-28(21-24)33-29(22-7-3-1-4-8-22)37(31(27)39)34-25-14-11-23(12-15-25)30(38)36-19-17-35(18-20-36)26-9-5-2-6-10-26/h1-16,21,34H,17-20H2