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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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