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

Systemtic Name: N-[3-[(3,4-dimethoxyphenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3,4-dimethoxybenzoyl)-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3,4-dimethoxyphenyl)-oxomethyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3,4-dimethoxybenzoyl)-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl(veratroyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C22H24N4O5 MolecularWeight: 424.44976

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5/c1-26(22(29)14-9-10-17(30-2)18(13-14)31-3)12-6-11-23-21(28)19-24-16-8-5-4-7-15(16)20(27)25-19/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,23,28)(H,24,25,27)