[4-(quinazolin-4-ylamino)phenyl] 4-bromanylbenzoate

Systemtic Name: [4-(quinazolin-4-ylamino)phenyl] 4-bromanylbenzoate Openeye Name: [4-(quinazolin-4-ylamino)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-(4-quinazolinylamino)phenyl] ester IUPAC Name: [4-(quinazolin-4-ylamino)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(quinazolin-4-ylamino)phenyl] ester Formula: C21H14BrN3O2 MolecularWeight: 420.25876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3O2/c22-15-7-5-14(6-8-15)21(26)27-17-11-9-16(10-12-17)25-20-18-3-1-2-4-19(18)23-13-24-20/h1-13H,(H,23,24,25)