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

Systemtic Name: N1-[6-cyano-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(1-benzyl-5-cyano-2,3-dihydroxy-pentyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-(1-benzyl-5-cyano-2,3-dihydroxy-pentyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C28H36N4O5 MolecularWeight: 508.60924

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H36N4O5/c1-3-13-32(14-4-2)28(37)22-17-20(26(30)35)16-21(18-22)27(36)31-23(15-19-9-6-5-7-10-19)25(34)24(33)11-8-12-29/h5-7,9-10,16-18,23-25,33-34H,3-4,8,11,13-15H2,1-2H3,(H2,30,35)(H,31,36)