methyl 3-[4-[6-[1-(triphenylmethyl)pyrazol-4-yl]quinazolin-4-yl]piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[4-[6-[1-(triphenylmethyl)pyrazol-4-yl]quinazolin-4-yl]piperazin-1-yl]benzoate Openeye Name: methyl 3-[4-[6-(1-tritylpyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzoate CAS Name: 3-[4-[6-[1-(triphenylmethyl)-4-pyrazolyl]-4-quinazolinyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[6-(1-tritylpyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzoate Traditional Name: 3-[4-[6-(1-tritylpyrazol-4-yl)quinazolin-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(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CN(N=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CN(N=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

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