6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[2-methyl-4-(phenylmethyl)piperazin-1-yl]quinazoline

Systemtic Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[2-methyl-4-(phenylmethyl)piperazin-1-yl]quinazoline Openeye Name: 4-(4-benzyl-2-methyl-piperazin-1-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazoline CAS Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[2-methyl-4-(phenylmethyl)-1-piperazinyl]quinazoline IUPAC Name: 4-(4-benzyl-2-methylpiperazin-1-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazoline Traditional Name: 4-(4-benzyl-2-methyl-piperazino)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazoline Formula: C29H27FN6 MolecularWeight: 478.563283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC=NC3=C2C=C(C=C3)C4=C(NN=C4)C5=CC=C(C=C5)F)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C2=NC=NC3=C2C=C(C=C3)C4=C(NN=C4)C5=CC=C(C=C5)F)CC6=CC=CC=C6

InChI

InChI=1S/C29H27FN6/c1-20-17-35(18-21-5-3-2-4-6-21)13-14-36(20)29-25-15-23(9-12-27(25)31-19-32-29)26-16-33-34-28(26)22-7-10-24(30)11-8-22/h2-12,15-16,19-20H,13-14,17-18H2,1H3,(H,33,34)