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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-keto-1H-quinoline-4-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=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

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