N1-[3,4-bis(oxidanyl)-1-pyridin-4-yl-non-8-yn-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide

Systemtic Name: N1-[3,4-bis(oxidanyl)-1-pyridin-4-yl-non-8-yn-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[2,3-dihydroxy-1-(4-pyridylmethyl)oct-7-ynyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(3,4-dihydroxy-1-pyridin-4-ylnon-8-yn-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-1-pyridin-4-ylnon-8-yn-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[2,3-dihydroxy-1-(4-pyridylmethyl)oct-7-ynyl]-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=NC=C2)C(C(CCCC#C)O)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O5/c1-4-7-8-9-25(34)26(35)24(16-20-10-12-31-13-11-20)32-28(37)22-17-21(27(30)36)18-23(19-22)29(38)33(14-5-2)15-6-3/h1,10-13,17-19,24-26,34-35H,5-9,14-16H2,2-3H3,(H2,30,36)(H,32,37)