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

Systemtic Name: N1-[6-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-hexan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[5-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)pentyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(6-cyano-3,4-dihydroxy-1-pyridin-4-ylhexan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(6-cyano-3,4-dihydroxy-1-pyridin-4-ylhexan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[5-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)pentyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C27H35N5O5 MolecularWeight: 509.5973

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O5/c1-3-12-32(13-4-2)27(37)21-16-19(25(29)35)15-20(17-21)26(36)31-22(14-18-7-10-30-11-8-18)24(34)23(33)6-5-9-28/h7-8,10-11,15-17,22-24,33-34H,3-6,12-14H2,1-2H3,(H2,29,35)(H,31,36)