N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C=NC3=CC=CC=C3C2=O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C=NC3=CC=CC=C3C2=O)Br)OC

InChI

InChI=1S/C21H22BrN3O4/c1-28-18-11-14(16(22)12-19(18)29-2)7-9-23-20(26)8-10-25-13-24-17-6-4-3-5-15(17)21(25)27/h3-6,11-13H,7-10H2,1-2H3,(H,23,26)