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

Systemtic Name: [3-(quinazolin-4-ylamino)phenyl] 4-bromanylbenzoate Openeye Name: [3-(quinazolin-4-ylamino)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(4-quinazolinylamino)phenyl] ester IUPAC Name: [3-(quinazolin-4-ylamino)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(quinazolin-4-ylamino)phenyl] ester Formula: C21H14BrN3O2 MolecularWeight: 420.25876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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