N1-[5-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-pentan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[5-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-pentan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[4-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)butyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(5-cyano-3,4-dihydroxy-1-pyridin-4-ylpentan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(5-cyano-3,4-dihydroxy-1-pyridin-4-ylpentan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[4-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)butyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=NC=C2)C(C(CC#N)O)O)C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=NC=C2)C(C(CC#N)O)O)C

InChI

InChI=1S/C26H34N4O4/c1-4-12-30(13-5-2)26(34)21-15-18(3)14-20(17-21)25(33)29-22(24(32)23(31)6-9-27)16-19-7-10-28-11-8-19/h7-8,10-11,14-15,17,22-24,31-32H,4-6,12-13,16H2,1-3H3,(H,29,33)