2-[[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one; ethanedioic acid

Systemtic Name: 2-[[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one; ethanedioic acid Openeye Name: 2-[[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one; oxalic acid CAS Name: 2-[[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]methyl]-1H-quinazolin-4-one; oxalic acid IUPAC Name: 2-[[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]methyl]-1H-quinazolin-4-one; oxalic acid Traditional Name: 2-[[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one; oxalic acid Formula: C21H20ClN3O7 MolecularWeight: 461.8524

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C2C(=CC(=C1)Cl)COCO2)CC3=NC(=O)C4=CC=CC=C4N3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CC1=C2C(=CC(=C1)Cl)COCO2)CC3=NC(=O)C4=CC=CC=C4N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H18ClN3O3.C2H2O4/c1-23(8-12-6-14(20)7-13-10-25-11-26-18(12)13)9-17-21-16-5-3-2-4-15(16)19(24)22-17;3-1(4)2(5)6/h2-7H,8-11H2,1H3,(H,21,22,24);(H,3,4)(H,5,6)