benzotriazol-1-yl 4-[5-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[5-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[6-(4-phenyl-1-piperidyl)-3-pyridyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[6-(4-phenyl-1-piperidinyl)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[6-(4-phenylpiperidino)-3-pyridyl]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C31H25N7O2S MolecularWeight: 559.6409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=NC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=NC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

InChI

InChI=1S/C31H25N7O2S/c39-31(40-38-27-9-5-4-8-26(27)33-36-38)24-12-10-23(11-13-24)29-34-35-30(41-29)25-14-15-28(32-20-25)37-18-16-22(17-19-37)21-6-2-1-3-7-21/h1-15,20,22H,16-19H2