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

Systemtic Name: N1-[7-cyano-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(1-benzyl-6-cyano-2,3-dihydroxy-hexyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-(1-benzyl-6-cyano-2,3-dihydroxy-hexyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C29H38N4O5 MolecularWeight: 522.63582

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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(CCCC#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(CCCC#N)O)O)C(=O)N

InChI

InChI=1S/C29H38N4O5/c1-3-14-33(15-4-2)29(38)23-18-21(27(31)36)17-22(19-23)28(37)32-24(16-20-10-6-5-7-11-20)26(35)25(34)12-8-9-13-30/h5-7,10-11,17-19,24-26,34-35H,3-4,8-9,12,14-16H2,1-2H3,(H2,31,36)(H,32,37)