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

Systemtic Name: N1-[5-cyano-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-(1-benzyl-4-cyano-2,3-dihydroxy-butyl)-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(5-cyano-3,4-dihydroxy-1-phenylpentan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(5-cyano-3,4-dihydroxy-1-phenylpentan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-(1-benzyl-4-cyano-2,3-dihydroxy-butyl)-5-methyl-N',N'-dipropyl-isophthalamide Formula: C27H35N3O4 MolecularWeight: 465.5845

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O4/c1-4-13-30(14-5-2)27(34)22-16-19(3)15-21(18-22)26(33)29-23(25(32)24(31)11-12-28)17-20-9-7-6-8-10-20/h6-10,15-16,18,23-25,31-32H,4-5,11,13-14,17H2,1-3H3,(H,29,33)