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

Systemtic Name: N-[2-[(3,4-dimethylphenyl)carbonylamino]ethyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[2-[[(3,4-dimethylphenyl)-oxomethyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-12-7-8-14(11-13(12)2)18(25)21-9-10-22-20(27)17-23-16-6-4-3-5-15(16)19(26)24-17/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,27)(H,23,24,26)