ethanedioic acid; 3-pentyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione

Systemtic Name: ethanedioic acid; 3-pentyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione Openeye Name: oxalic acid; 3-pentyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione CAS Name: oxalic acid; 3-pentyl-1-[4-(1-pyrrolidinyl)but-2-ynyl]quinazoline-2,4-dione IUPAC Name: oxalic acid; 3-pentyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione Traditional Name: 3-amyl-1-(4-pyrrolidinobut-2-ynyl)quinazoline-2,4-quinone; oxalic acid Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O2.C2H2O4/c1-2-3-6-17-24-20(25)18-11-4-5-12-19(18)23(21(24)26)16-10-9-15-22-13-7-8-14-22;3-1(4)2(5)6/h4-5,11-12H,2-3,6-8,13-17H2,1H3;(H,3,4)(H,5,6)