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

Systemtic Name: ethanedioic acid; 2-methyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one Openeye Name: 2-methyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one; oxalic acid CAS Name: 2-methyl-3-[4-(1-pyrrolidinyl)but-2-ynyl]-4-quinazolinone; oxalic acid IUPAC Name: 2-methyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one; oxalic acid Traditional Name: 2-methyl-3-(4-pyrrolidinobut-2-ynyl)quinazolin-4-one; oxalic acid Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19N3O.C2H2O4/c1-14-18-16-9-3-2-8-15(16)17(21)20(14)13-7-6-12-19-10-4-5-11-19;3-1(4)2(5)6/h2-3,8-9H,4-5,10-13H2,1H3;(H,3,4)(H,5,6)