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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C19H15ClN6O2 MolecularWeight: 394.8144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN6O2/c20-13-5-6-17(26-11-21-10-23-26)16(9-13)24-18(27)7-8-25-12-22-15-4-2-1-3-14(15)19(25)28/h1-6,9-12H,7-8H2,(H,24,27)