2-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one

Systemtic Name: 2-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one CAS Name: 2-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-2,3-dihydro-1H-quinazolin-4-one IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one Traditional Name: 2-[4-(4-benzylpiperazino)-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4NC5=CC=CC=C5C(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4NC5=CC=CC=C5C(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O3/c31-25-20-8-4-5-9-21(20)26-24(27-25)19-10-11-22(23(16-19)30(32)33)29-14-12-28(13-15-29)17-18-6-2-1-3-7-18/h1-11,16,24,26H,12-15,17H2,(H,27,31)