N-(4-fluorophenyl)-3-[4-(6-pyrazol-1-ylquinazolin-4-yl)piperazin-1-yl]benzamide hydrochloride

Systemtic Name: N-(4-fluorophenyl)-3-[4-(6-pyrazol-1-ylquinazolin-4-yl)piperazin-1-yl]benzamide hydrochloride Openeye Name: N-(4-fluorophenyl)-3-[4-(6-pyrazol-1-ylquinazolin-4-yl)piperazin-1-yl]benzamide hydrochloride CAS Name: N-(4-fluorophenyl)-3-[4-[6-(1-pyrazolyl)-4-quinazolinyl]-1-piperazinyl]benzamide hydrochloride IUPAC Name: N-(4-fluorophenyl)-3-[4-(6-pyrazol-1-ylquinazolin-4-yl)piperazin-1-yl]benzamide hydrochloride Traditional Name: N-(4-fluorophenyl)-3-[4-(6-pyrazol-1-ylquinazolin-4-yl)piperazino]benzamide hydrochloride Formula: C28H25ClFN7O MolecularWeight: 529.995803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F)C4=NC=NC5=C4C=C(C=C5)N6C=CC=N6.Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F)C4=NC=NC5=C4C=C(C=C5)N6C=CC=N6.Cl

InChI

InChI=1S/C28H24FN7O.ClH/c29-21-5-7-22(8-6-21)33-28(37)20-3-1-4-23(17-20)34-13-15-35(16-14-34)27-25-18-24(36-12-2-11-32-36)9-10-26(25)30-19-31-27;/h1-12,17-19H,13-16H2,(H,33,37);1H