1-[1-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-3-(4-nitrophenyl)-1-phenethyl-urea

Systemtic Name: 1-[1-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-3-(4-nitrophenyl)-1-phenethyl-urea Openeye Name: 1-[1-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-3-(4-nitrophenyl)-1-phenethyl-urea CAS Name: 1-[1-[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]ethyl]-3-(4-nitrophenyl)-1-phenethylurea IUPAC Name: 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(4-nitrophenyl)-1-phenethylurea Traditional Name: 1-[1-[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]ethyl]-3-(4-nitrophenyl)-1-phenethyl-urea Formula: C33H31N5O4 MolecularWeight: 561.63034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C33H31N5O4/c1-22-13-18-30(23(2)21-22)37-31(35-29-12-8-7-11-28(29)32(37)39)24(3)36(20-19-25-9-5-4-6-10-25)33(40)34-26-14-16-27(17-15-26)38(41)42/h4-18,21,24H,19-20H2,1-3H3,(H,34,40)