7-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3-phenethyl-1H-quinazoline-2,4-dione

Systemtic Name: 7-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3-phenethyl-1H-quinazoline-2,4-dione Openeye Name: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-phenethyl-1H-quinazoline-2,4-dione CAS Name: 7-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3-phenethyl-1H-quinazoline-2,4-dione IUPAC Name: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-phenethyl-1H-quinazoline-2,4-dione Traditional Name: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-phenethyl-1H-quinazoline-2,4-quinone Formula: C27H25N5O5 MolecularWeight: 499.5179

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O5/c33-25(30-16-14-29(15-17-30)21-7-9-22(10-8-21)32(36)37)20-6-11-23-24(18-20)28-27(35)31(26(23)34)13-12-19-4-2-1-3-5-19/h1-11,18H,12-17H2,(H,28,35)