1-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-hexyl-3-(4-nitrophenyl)urea

Systemtic Name: 1-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-hexyl-3-(4-nitrophenyl)urea Openeye Name: 1-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-1-hexyl-3-(4-nitrophenyl)urea CAS Name: 1-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]ethyl]-1-hexyl-3-(4-nitrophenyl)urea IUPAC Name: 1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-hexyl-3-(4-nitrophenyl)urea Traditional Name: 1-[1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]ethyl]-1-hexyl-3-(4-nitrophenyl)urea Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N5O4/c1-4-6-7-10-21-34(31(38)32-24-15-19-26(20-16-24)36(39)40)22(3)29-33-28-12-9-8-11-27(28)30(37)35(29)25-17-13-23(5-2)14-18-25/h8-9,11-20,22H,4-7,10,21H2,1-3H3,(H,32,38)