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

Systemtic Name: N-[3-[(3,4-dimethoxyphenyl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-(veratroylamino)propyl]-1H-quinazoline-2-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)OC

InChI

InChI=1S/C21H22N4O5/c1-29-16-9-8-13(12-17(16)30-2)19(26)22-10-5-11-23-21(28)18-24-15-7-4-3-6-14(15)20(27)25-18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,26)(H,23,28)(H,24,25,27)