N-[3-[(2-methoxy-3-methyl-phenyl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(2-methoxy-3-methyl-phenyl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(2-methoxy-3-methyl-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(2-methoxy-3-methylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[(2-methoxy-3-methyl-benzoyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

InChI

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