N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C20H17ClN6O2 MolecularWeight: 408.84098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C20H17ClN6O2/c21-14-7-8-18(27-12-22-11-24-27)17(10-14)25-19(28)6-3-9-26-13-23-16-5-2-1-4-15(16)20(26)29/h1-2,4-5,7-8,10-13H,3,6,9H2,(H,25,28)