N-[1-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-hexyl-4-nitro-benzamide

Systemtic Name: N-[1-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-hexyl-4-nitro-benzamide Openeye Name: N-[1-[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]-N-hexyl-4-nitro-benzamide CAS Name: N-[1-[7-chloro-3-(4-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]-N-hexyl-4-nitrobenzamide IUPAC Name: N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-4-nitrobenzamide Traditional Name: N-[1-[7-chloro-4-keto-3-(p-tolyl)quinazolin-2-yl]ethyl]-N-hexyl-4-nitro-benzamide Formula: C30H31ClN4O4 MolecularWeight: 547.04454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(C)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=C(C=C3)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(C(C)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=C(C=C3)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H31ClN4O4/c1-4-5-6-7-18-33(29(36)22-10-15-25(16-11-22)35(38)39)21(3)28-32-27-19-23(31)12-17-26(27)30(37)34(28)24-13-8-20(2)9-14-24/h8-17,19,21H,4-7,18H2,1-3H3