2-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]-6-[1-(triphenylmethyl)pyrazol-4-yl]quinazoline

Systemtic Name: 2-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]-6-[1-(triphenylmethyl)pyrazol-4-yl]quinazoline Openeye Name: 2-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]-6-(1-tritylpyrazol-4-yl)quinazoline CAS Name: 2-(1-piperazinyl)-4-[3-(trifluoromethyl)phenyl]-6-[1-(triphenylmethyl)-4-pyrazolyl]quinazoline IUPAC Name: 2-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]-6-(1-tritylpyrazol-4-yl)quinazoline Traditional Name: 2-piperazino-4-[3-(trifluoromethyl)phenyl]-6-(1-tritylpyrazol-4-yl)quinazoline Formula: C41H33F3N6 MolecularWeight: 666.73613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C=C(C=C3)C4=CN(N=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=N2)C8=CC(=CC=C8)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C=C(C=C3)C4=CN(N=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=N2)C8=CC(=CC=C8)C(F)(F)F

InChI

InChI=1S/C41H33F3N6/c42-41(43,44)35-18-10-11-30(25-35)38-36-26-29(19-20-37(36)47-39(48-38)49-23-21-45-22-24-49)31-27-46-50(28-31)40(32-12-4-1-5-13-32,33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-20,25-28,45H,21-24H2