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

Systemtic Name: N-[3-[(3,4-dimethylphenyl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3,4-dimethylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3,4-dimethylphenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3,4-dimethylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(3,4-dimethylbenzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C21H22N4O3/c1-13-8-9-15(12-14(13)2)19(26)22-10-5-11-23-21(28)18-24-17-7-4-3-6-16(17)20(27)25-18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,26)(H,23,28)(H,24,25,27)