3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[3-(1-imidazolylmethyl)phenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]propionamide Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)CN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)CN4C=CN=C4

InChI

InChI=1S/C21H18BrN5O2/c22-16-4-5-19-18(11-16)21(29)27(14-24-19)8-6-20(28)25-17-3-1-2-15(10-17)12-26-9-7-23-13-26/h1-5,7,9-11,13-14H,6,8,12H2,(H,25,28)