6-chloranyl-3-(2-diethylaminoethyl)-1-(phenylmethyl)-2H-quinazolin-4-one; ethanedioic acid

Systemtic Name: 6-chloranyl-3-(2-diethylaminoethyl)-1-(phenylmethyl)-2H-quinazolin-4-one; ethanedioic acid Openeye Name: 1-benzyl-6-chloro-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; oxalic acid CAS Name: 6-chloro-3-(2-diethylaminoethyl)-1-(phenylmethyl)-2H-quinazolin-4-one; oxalic acid IUPAC Name: 1-benzyl-6-chloro-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; oxalic acid Traditional Name: 1-benzyl-6-chloro-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; oxalic acid Formula: C23H28ClN3O5 MolecularWeight: 461.93852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1CN(C2=C(C1=O)C=C(C=C2)Cl)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCN1CN(C2=C(C1=O)C=C(C=C2)Cl)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26ClN3O.C2H2O4/c1-3-23(4-2)12-13-24-16-25(15-17-8-6-5-7-9-17)20-11-10-18(22)14-19(20)21(24)26;3-1(4)2(5)6/h5-11,14H,3-4,12-13,15-16H2,1-2H3;(H,3,4)(H,5,6)