N-[3-[4-(3-methylbutanoylamino)butyl]oxiran-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[3-[4-(3-methylbutanoylamino)butyl]oxiran-2-yl]quinoline-2-carboxamide Openeye Name: N-[3-[4-(3-methylbutanoylamino)butyl]oxiran-2-yl]quinoline-2-carboxamide CAS Name: N-[3-[4-[(3-methyl-1-oxobutyl)amino]butyl]-2-oxiranyl]-2-quinolinecarboxamide IUPAC Name: N-[3-[4-(3-methylbutanoylamino)butyl]oxiran-2-yl]quinoline-2-carboxamide Traditional Name: N-[3-[4-(isovalerylamino)butyl]oxiran-2-yl]quinaldamide Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCCCC1C(O1)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CC(=O)NCCCCC1C(O1)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H27N3O3/c1-14(2)13-19(25)22-12-6-5-9-18-21(27-18)24-20(26)17-11-10-15-7-3-4-8-16(15)23-17/h3-4,7-8,10-11,14,18,21H,5-6,9,12-13H2,1-2H3,(H,22,25)(H,24,26)