N-[3-[(3-methoxyphenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(3-methoxyphenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3-methoxybenzoyl)-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3-methoxyphenyl)-oxomethyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3-methoxybenzoyl)-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[m-anisoyl(methyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N4O4/c1-25(21(28)14-7-5-8-15(13-14)29-2)12-6-11-22-20(27)18-23-17-10-4-3-9-16(17)19(26)24-18/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,22,27)(H,23,24,26)