methyl 3-[4-quinazolin-4-yl-2-[1-(triphenylmethyl)pyrazol-4-yl]piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[4-quinazolin-4-yl-2-[1-(triphenylmethyl)pyrazol-4-yl]piperazin-1-yl]benzoate Openeye Name: methyl 3-[4-quinazolin-4-yl-2-(1-tritylpyrazol-4-yl)piperazin-1-yl]benzoate CAS Name: 3-[4-(4-quinazolinyl)-2-[1-(triphenylmethyl)-4-pyrazolyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-quinazolin-4-yl-2-(1-tritylpyrazol-4-yl)piperazin-1-yl]benzoate Traditional Name: 3-[4-quinazolin-4-yl-2-(1-tritylpyrazol-4-yl)piperazino]benzoic acid methyl ester Formula: C42H36N6O2 MolecularWeight: 656.77424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2CCN(CC2C3=CN(N=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=NC=NC8=CC=CC=C87

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2CCN(CC2C3=CN(N=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=NC=NC8=CC=CC=C87

InChI

InChI=1S/C42H36N6O2/c1-50-41(49)31-14-13-21-36(26-31)47-25-24-46(40-37-22-11-12-23-38(37)43-30-44-40)29-39(47)32-27-45-48(28-32)42(33-15-5-2-6-16-33,34-17-7-3-8-18-34)35-19-9-4-10-20-35/h2-23,26-28,30,39H,24-25,29H2,1H3