ethyl 2-[4-[6-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]quinolin-4-yl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[6-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]quinolin-4-yl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[6-(3-methyl-1-trityl-pyrazol-4-yl)-4-quinolyl]piperazin-1-yl]acetate CAS Name: 2-[4-[6-[3-methyl-1-(triphenylmethyl)-4-pyrazolyl]-4-quinolinyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[6-(3-methyl-1-tritylpyrazol-4-yl)quinolin-4-yl]piperazin-1-yl]acetate Traditional Name: 2-[4-[6-(3-methyl-1-trityl-pyrazol-4-yl)-4-quinolyl]piperazino]acetic acid ethyl ester Formula: C40H39N5O2 MolecularWeight: 621.76996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2=C3C=C(C=CC3=NC=C2)C4=CN(N=C4C)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=C3C=C(C=CC3=NC=C2)C4=CN(N=C4C)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C40H39N5O2/c1-3-47-39(46)29-43-23-25-44(26-24-43)38-21-22-41-37-20-19-31(27-35(37)38)36-28-45(42-30(36)2)40(32-13-7-4-8-14-32,33-15-9-5-10-16-33)34-17-11-6-12-18-34/h4-22,27-28H,3,23-26,29H2,1-2H3