1-(3-methylbutyl)-3-(4-nitrophenyl)-1-[1-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)propyl]urea

Systemtic Name: 1-(3-methylbutyl)-3-(4-nitrophenyl)-1-[1-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)propyl]urea Openeye Name: 1-isopentyl-3-(4-nitrophenyl)-1-[1-(4-oxo-3-phenyl-quinazolin-2-yl)propyl]urea CAS Name: 1-(3-methylbutyl)-3-(4-nitrophenyl)-1-[1-(4-oxo-3-phenyl-2-quinazolinyl)propyl]urea IUPAC Name: 1-(3-methylbutyl)-3-(4-nitrophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea Traditional Name: 1-isoamyl-1-[1-(4-keto-3-phenyl-quinazolin-2-yl)propyl]-3-(4-nitrophenyl)urea Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O4/c1-4-26(32(19-18-20(2)3)29(36)30-21-14-16-23(17-15-21)34(37)38)27-31-25-13-9-8-12-24(25)28(35)33(27)22-10-6-5-7-11-22/h5-17,20,26H,4,18-19H2,1-3H3,(H,30,36)