2-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinoline-4-carboxamide

Systemtic Name: 2-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinoline-4-carboxamide Openeye Name: 2-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinoline-4-carboxamide CAS Name: 2-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinoline-4-carboxamide IUPAC Name: 2-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]-1H-quinoline-4-carboxamide Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H17N5O2/c26-19-9-17(16-3-1-2-4-18(16)24-19)20(27)22-10-14-5-7-15(8-6-14)11-25-13-21-12-23-25/h1-9,12-13H,10-11H2,(H,22,27)(H,24,26)