2-bromanyl-11-oxidanylidene-N-(4-pyridin-3-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide

Systemtic Name: 2-bromanyl-11-oxidanylidene-N-(4-pyridin-3-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide Openeye Name: 2-bromo-11-oxo-N-[4-(3-pyridyl)butyl]pyrido[2,1-b]quinazoline-8-carboxamide CAS Name: 2-bromo-11-oxo-N-[4-(3-pyridinyl)butyl]-8-pyrido[2,1-b]quinazolinecarboxamide IUPAC Name: 2-bromo-11-oxo-N-(4-pyridin-3-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide Traditional Name: 2-bromo-11-keto-N-[4-(3-pyridyl)butyl]pyrido[2,1-b]quinazoline-8-carboxamide Formula: C22H19BrN4O2 MolecularWeight: 451.31586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCNC(=O)C2=CN3C(=NC4=C(C3=O)C=C(C=C4)Br)C=C2

Isomeric SMILES

C1=CC(=CN=C1)CCCCNC(=O)C2=CN3C(=NC4=C(C3=O)C=C(C=C4)Br)C=C2

InChI

InChI=1S/C22H19BrN4O2/c23-17-7-8-19-18(12-17)22(29)27-14-16(6-9-20(27)26-19)21(28)25-11-2-1-4-15-5-3-10-24-13-15/h3,5-10,12-14H,1-2,4,11H2,(H,25,28)