N1-[7-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-heptan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[7-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-heptan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[6-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)hexyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(7-cyano-3,4-dihydroxy-1-pyridin-4-ylheptan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(7-cyano-3,4-dihydroxy-1-pyridin-4-ylheptan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[6-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)hexyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C28H38N4O4 MolecularWeight: 494.62572

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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(CCCC#N)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O4/c1-4-14-32(15-5-2)28(36)23-17-20(3)16-22(19-23)27(35)31-24(18-21-9-12-30-13-10-21)26(34)25(33)8-6-7-11-29/h9-10,12-13,16-17,19,24-26,33-34H,4-8,14-15,18H2,1-3H3,(H,31,35)