3-[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C25H21N5O4 MolecularWeight: 455.46534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C25H21N5O4/c31-24(28-15-13-27(14-16-28)19-9-11-21(12-10-19)30(33)34)18-5-7-20(8-6-18)29-17-26-23-4-2-1-3-22(23)25(29)32/h1-12,17H,13-16H2