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

Systemtic Name: 2-chloranyl-N-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]propyl]-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-nitrobenzamide Traditional Name: N-benzyl-2-chloro-N-[1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]propyl]-4-nitro-benzamide Formula: C33H29ClN4O4 MolecularWeight: 581.06076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(CC)N(CC4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(CC)N(CC4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C33H29ClN4O4/c1-3-22-14-16-24(17-15-22)37-31(35-29-13-9-8-12-27(29)33(37)40)30(4-2)36(21-23-10-6-5-7-11-23)32(39)26-19-18-25(38(41)42)20-28(26)34/h5-20,30H,3-4,21H2,1-2H3