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

Systemtic Name: N-[3-[(4-tert-butylphenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(4-tert-butylbenzoyl)-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-tert-butylphenyl)-oxomethyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(4-tert-butylbenzoyl)-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(4-tert-butylbenzoyl)-methyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-24(2,3)17-12-10-16(11-13-17)23(31)28(4)15-7-14-25-22(30)20-26-19-9-6-5-8-18(19)21(29)27-20/h5-6,8-13H,7,14-15H2,1-4H3,(H,25,30)(H,26,27,29)