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

Systemtic Name: N1-[3,4-bis(oxidanyl)-1-pyridin-4-yl-non-8-yn-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[2,3-dihydroxy-1-(4-pyridylmethyl)oct-7-ynyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(3,4-dihydroxy-1-pyridin-4-ylnon-8-yn-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-1-pyridin-4-ylnon-8-yn-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[2,3-dihydroxy-1-(4-pyridylmethyl)oct-7-ynyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C29H39N3O4 MolecularWeight: 493.63766

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O4/c1-5-8-9-10-26(33)27(34)25(19-22-11-13-30-14-12-22)31-28(35)23-17-21(4)18-24(20-23)29(36)32(15-6-2)16-7-3/h1,11-14,17-18,20,25-27,33-34H,6-10,15-16,19H2,2-4H3,(H,31,35)