3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[(2-pyrrolidino-4-pyridyl)methyl]propionamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H22BrN5O2/c22-16-3-4-18-17(12-16)21(29)27(14-25-18)10-6-20(28)24-13-15-5-7-23-19(11-15)26-8-1-2-9-26/h3-5,7,11-12,14H,1-2,6,8-10,13H2,(H,24,28)