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

Systemtic Name: N-[1-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-4-methyl-3-nitro-N-pentyl-benzamide Openeye Name: N-[1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-4-methyl-3-nitro-N-pentyl-benzamide CAS Name: N-[1-[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]propyl]-4-methyl-3-nitro-N-pentylbenzamide IUPAC Name: N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[1-[4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]propyl]-4-methyl-3-nitro-benzamide Formula: C31H34N4O5 MolecularWeight: 542.62546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C31H34N4O5/c1-5-7-12-19-33(30(36)22-18-17-21(3)27(20-22)35(38)39)25(6-2)29-32-24-14-9-8-13-23(24)31(37)34(29)26-15-10-11-16-28(26)40-4/h8-11,13-18,20,25H,5-7,12,19H2,1-4H3