N-[1-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(3-methylbutyl)-3-nitro-benzamide

Systemtic Name: N-[1-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(3-methylbutyl)-3-nitro-benzamide Openeye Name: N-[1-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-isopentyl-3-nitro-benzamide CAS Name: N-[1-[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]ethyl]-N-(3-methylbutyl)-3-nitrobenzamide IUPAC Name: N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-3-nitrobenzamide Traditional Name: N-[1-[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]ethyl]-N-isoamyl-3-nitro-benzamide Formula: C28H27ClN4O4 MolecularWeight: 518.99138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H27ClN4O4/c1-18(2)15-16-31(27(34)20-9-8-10-21(17-20)33(36)37)19(3)26-30-24-13-6-4-11-22(24)28(35)32(26)25-14-7-5-12-23(25)29/h4-14,17-19H,15-16H2,1-3H3