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

Systemtic Name: N-[1-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-3-nitro-N-phenethyl-benzamide Openeye Name: 3-nitro-N-[1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]propyl]-N-phenethyl-benzamide CAS Name: N-[1-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]propyl]-3-nitro-N-phenethylbenzamide IUPAC Name: N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-nitro-N-phenethylbenzamide Traditional Name: N-[1-[4-keto-3-(p-tolyl)quinazolin-2-yl]propyl]-3-nitro-N-phenethyl-benzamide Formula: C33H30N4O4 MolecularWeight: 546.6157

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C)N(CCC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C)N(CCC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H30N4O4/c1-3-30(31-34-29-15-8-7-14-28(29)33(39)36(31)26-18-16-23(2)17-19-26)35(21-20-24-10-5-4-6-11-24)32(38)25-12-9-13-27(22-25)37(40)41/h4-19,22,30H,3,20-21H2,1-2H3