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

Systemtic Name: N1-[7-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-heptan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[6-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)hexyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(7-cyano-3,4-dihydroxy-1-pyridin-4-ylheptan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(7-cyano-3,4-dihydroxy-1-pyridin-4-ylheptan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[6-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)hexyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C28H37N5O5 MolecularWeight: 523.62388

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C28H37N5O5/c1-3-13-33(14-4-2)28(38)22-17-20(26(30)36)16-21(18-22)27(37)32-23(15-19-8-11-31-12-9-19)25(35)24(34)7-5-6-10-29/h8-9,11-12,16-18,23-25,34-35H,3-7,13-15H2,1-2H3,(H2,30,36)(H,32,37)