methyl 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-(1-imidazolylmethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-(imidazol-1-ylmethyl)benzyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C21H18N4O4/c1-29-20(27)16-6-7-17-18(10-16)23-21(28)25(19(17)26)12-15-4-2-14(3-5-15)11-24-9-8-22-13-24/h2-10,13H,11-12H2,1H3,(H,23,28)