2-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]-N-quinolin-4-yl-piperazine-1-carboxamide

Systemtic Name: 2-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]-N-quinolin-4-yl-piperazine-1-carboxamide Openeye Name: 2-(3-methyl-1-trityl-pyrazol-4-yl)-N-(4-quinolyl)piperazine-1-carboxamide CAS Name: 2-[3-methyl-1-(triphenylmethyl)-4-pyrazolyl]-N-(4-quinolinyl)-1-piperazinecarboxamide IUPAC Name: 2-(3-methyl-1-tritylpyrazol-4-yl)-N-quinolin-4-ylpiperazine-1-carboxamide Traditional Name: 2-(3-methyl-1-trityl-pyrazol-4-yl)-N-(4-quinolyl)piperazine-1-carboxamide Formula: C37H34N6O MolecularWeight: 578.70546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2CNCCN2C(=O)NC3=CC=NC4=CC=CC=C43)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC1=NN(C=C1C2CNCCN2C(=O)NC3=CC=NC4=CC=CC=C43)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H34N6O/c1-27-32(35-25-38-23-24-42(35)36(44)40-34-21-22-39-33-20-12-11-19-31(33)34)26-43(41-27)37(28-13-5-2-6-14-28,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-22,26,35,38H,23-25H2,1H3,(H,39,40,44)