N1-[6-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-hexan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[6-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-hexan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[5-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)pentyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(6-cyano-3,4-dihydroxy-1-pyridin-4-ylhexan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(6-cyano-3,4-dihydroxy-1-pyridin-4-ylhexan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[5-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)pentyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C27H36N4O4 MolecularWeight: 480.59914

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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(CCC#N)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O4/c1-4-13-31(14-5-2)27(35)22-16-19(3)15-21(18-22)26(34)30-23(17-20-8-11-29-12-9-20)25(33)24(32)7-6-10-28/h8-9,11-12,15-16,18,23-25,32-33H,4-7,13-14,17H2,1-3H3,(H,30,34)