N-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-2-oxo-1H-quinoline-3-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-2-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-keto-1H-quinoline-3-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H21N3O3/c1-13(2)11-19(25)22-15-7-9-16(10-8-15)23-20(26)17-12-14-5-3-4-6-18(14)24-21(17)27/h3-10,12-13H,11H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)