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

Systemtic Name: ethanedioic acid; 2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one Openeye Name: oxalic acid; 2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one CAS Name: oxalic acid; 2-propyl-3-[4-(1-pyrrolidinyl)but-2-ynyl]-4-quinazolinone IUPAC Name: oxalic acid; 2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one Traditional Name: oxalic acid; 2-propyl-3-(4-pyrrolidinobut-2-ynyl)quinazolin-4-one Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O.C2H2O4/c1-2-9-18-20-17-11-4-3-10-16(17)19(23)22(18)15-8-7-14-21-12-5-6-13-21;3-1(4)2(5)6/h3-4,10-11H,2,5-6,9,12-15H2,1H3;(H,3,4)(H,5,6)