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

Systemtic Name: ethanedioic acid; 3-prop-2-enyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione Openeye Name: 3-allyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione; oxalic acid CAS Name: oxalic acid; 3-prop-2-enyl-1-[4-(1-pyrrolidinyl)but-2-ynyl]quinazoline-2,4-dione IUPAC Name: oxalic acid; 3-prop-2-enyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione Traditional Name: 3-allyl-1-(4-pyrrolidinobut-2-ynyl)quinazoline-2,4-quinone; oxalic acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N3O2.C2H2O4/c1-2-11-22-18(23)16-9-3-4-10-17(16)21(19(22)24)15-8-7-14-20-12-5-6-13-20;3-1(4)2(5)6/h2-4,9-10H,1,5-6,11-15H2;(H,3,4)(H,5,6)