2-oxidanylidene-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-3-carboxamide Openeye Name: 2-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-3-carboxamide CAS Name: 2-oxo-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-1H-quinoline-3-carboxamide IUPAC Name: 2-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-3-carboxamide Traditional Name: 2-keto-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-3-carboxamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)N2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)N2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H18N4O2/c26-20(18-14-16-4-1-2-5-19(16)24-21(18)27)22-12-10-15-6-8-17(9-7-15)25-13-3-11-23-25/h1-9,11,13-14H,10,12H2,(H,22,26)(H,24,27)