2-butyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one; ethanedioic acid

Systemtic Name: 2-butyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one; ethanedioic acid Openeye Name: 2-butyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one; oxalic acid CAS Name: 2-butyl-3-[4-(1-pyrrolidinyl)but-2-ynyl]-4-quinazolinone; oxalic acid IUPAC Name: 2-butyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one; oxalic acid Traditional Name: 2-butyl-3-(4-pyrrolidinobut-2-ynyl)quinazolin-4-one; oxalic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O.C2H2O4/c1-2-3-12-19-21-18-11-5-4-10-17(18)20(24)23(19)16-9-8-15-22-13-6-7-14-22;3-1(4)2(5)6/h4-5,10-11H,2-3,6-7,12-16H2,1H3;(H,3,4)(H,5,6)