4-[4-(3-nitrophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline

Systemtic Name: 4-[4-(3-nitrophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Openeye Name: 4-[4-(3-nitrophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline CAS Name: 4-[4-(3-nitrophenyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline IUPAC Name: 4-[4-(3-nitrophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Traditional Name: 4-[4-(3-nitrophenyl)piperazino]-6-(1H-pyrazol-4-yl)quinazoline Formula: C21H19N7O2 MolecularWeight: 401.42126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5

InChI

InChI=1S/C21H19N7O2/c29-28(30)18-3-1-2-17(11-18)26-6-8-27(9-7-26)21-19-10-15(16-12-24-25-13-16)4-5-20(19)22-14-23-21/h1-5,10-14H,6-9H2,(H,24,25)