6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[4-(phenylmethyl)piperazin-1-yl]quinazoline

Systemtic Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[4-(phenylmethyl)piperazin-1-yl]quinazoline Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazoline CAS Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[4-(phenylmethyl)-1-piperazinyl]quinazoline IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazoline Traditional Name: 4-(4-benzylpiperazino)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazoline Formula: C28H25FN6 MolecularWeight: 464.536703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3C=C(C=C4)C5=C(NN=C5)C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3C=C(C=C4)C5=C(NN=C5)C6=CC=C(C=C6)F

InChI

InChI=1S/C28H25FN6/c29-23-9-6-21(7-10-23)27-25(17-32-33-27)22-8-11-26-24(16-22)28(31-19-30-26)35-14-12-34(13-15-35)18-20-4-2-1-3-5-20/h1-11,16-17,19H,12-15,18H2,(H,32,33)