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

Systemtic Name: N-[3-[methyl-(4-methylphenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl-(4-methylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-[(4-methylphenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-(4-methylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl(p-toluoyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-14-8-10-15(11-9-14)21(28)25(2)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)