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

Systemtic Name: N1-[5-cyano-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(1-benzyl-4-cyano-2,3-dihydroxy-butyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(5-cyano-3,4-dihydroxy-1-phenylpentan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(5-cyano-3,4-dihydroxy-1-phenylpentan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-(1-benzyl-4-cyano-2,3-dihydroxy-butyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C27H34N4O5 MolecularWeight: 494.58266

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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(CC#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(CC#N)O)O)C(=O)N

InChI

InChI=1S/C27H34N4O5/c1-3-12-31(13-4-2)27(36)21-16-19(25(29)34)15-20(17-21)26(35)30-22(24(33)23(32)10-11-28)14-18-8-6-5-7-9-18/h5-9,15-17,22-24,32-33H,3-4,10,12-14H2,1-2H3,(H2,29,34)(H,30,35)