N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide Openeye Name: N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide CAS Name: N-[2,5-diethoxy-4-[(3-methyl-1-oxobutyl)amino]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide Traditional Name: N-[2,5-diethoxy-4-(isovalerylamino)phenyl]nicotinamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CN=CC=C2)OCC)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CN=CC=C2)OCC)NC(=O)CC(C)C

InChI

InChI=1S/C21H27N3O4/c1-5-27-18-12-17(24-21(26)15-8-7-9-22-13-15)19(28-6-2)11-16(18)23-20(25)10-14(3)4/h7-9,11-14H,5-6,10H2,1-4H3,(H,23,25)(H,24,26)