1-hexyl-1-[1-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-hexyl-1-[1-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-3-(4-nitrophenyl)urea Openeye Name: 1-hexyl-1-[1-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-3-(4-nitrophenyl)urea CAS Name: 1-hexyl-1-[1-[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]propyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-hexyl-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-nitrophenyl)urea Traditional Name: 1-hexyl-1-[1-[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]propyl]-3-(4-nitrophenyl)urea Formula: C31H35N5O5 MolecularWeight: 557.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H35N5O5/c1-4-6-7-10-21-34(31(38)32-22-13-15-24(16-14-22)36(39)40)28(5-2)29-33-27-12-9-8-11-26(27)30(37)35(29)23-17-19-25(41-3)20-18-23/h8-9,11-20,28H,4-7,10,21H2,1-3H3,(H,32,38)