N-[1-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-hexyl-4-methyl-3-nitro-benzamide

Systemtic Name: N-[1-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-hexyl-4-methyl-3-nitro-benzamide Openeye Name: N-[1-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]propyl]-N-hexyl-4-methyl-3-nitro-benzamide CAS Name: N-[1-[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]propyl]-N-hexyl-4-methyl-3-nitrobenzamide IUPAC Name: N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-4-methyl-3-nitrobenzamide Traditional Name: N-[1-[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]propyl]-N-hexyl-4-methyl-3-nitro-benzamide Formula: C31H33BrN4O4 MolecularWeight: 605.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C31H33BrN4O4/c1-4-6-7-10-19-34(30(37)22-14-13-21(3)28(20-22)36(39)40)27(5-2)29-33-26-12-9-8-11-25(26)31(38)35(29)24-17-15-23(32)16-18-24/h8-9,11-18,20,27H,4-7,10,19H2,1-3H3