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

Systemtic Name: N-[3-[(4-tert-butylphenyl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(4-tert-butylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(4-tert-butylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(4-tert-butylbenzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-23(2,3)16-11-9-15(10-12-16)20(28)24-13-6-14-25-22(30)19-26-18-8-5-4-7-17(18)21(29)27-19/h4-5,7-12H,6,13-14H2,1-3H3,(H,24,28)(H,25,30)(H,26,27,29)