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

Systemtic Name: N-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-(3-methylbutyl)-3-nitro-benzamide Openeye Name: N-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-isopentyl-3-nitro-benzamide CAS Name: N-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]propyl]-N-(3-methylbutyl)-3-nitrobenzamide IUPAC Name: N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-3-nitrobenzamide Traditional Name: N-[1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]propyl]-N-isoamyl-3-nitro-benzamide Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(CC)N(CCC(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(CC)N(CCC(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H34N4O4/c1-5-22-14-16-24(17-15-22)34-29(32-27-13-8-7-12-26(27)31(34)37)28(6-2)33(19-18-21(3)4)30(36)23-10-9-11-25(20-23)35(38)39/h7-17,20-21,28H,5-6,18-19H2,1-4H3