tert-butyl 3-[(1-cyclopentylindazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: tert-butyl 3-[(1-cyclopentylindazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: tert-butyl 3-[(1-cyclopentylindazol-6-yl)-(3-pyridylmethyl)amino]benzoate CAS Name: 3-[(1-cyclopentyl-6-indazolyl)-(3-pyridinylmethyl)amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-cyclopentylindazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 3-[(1-cyclopentylindazol-6-yl)-(3-pyridylmethyl)amino]benzoic acid tert-butyl ester Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)N(CC2=CN=CC=C2)C3=CC4=C(C=C3)C=NN4C5CCCC5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)N(CC2=CN=CC=C2)C3=CC4=C(C=C3)C=NN4C5CCCC5

InChI

InChI=1S/C29H32N4O2/c1-29(2,3)35-28(34)22-9-6-12-25(16-22)32(20-21-8-7-15-30-18-21)26-14-13-23-19-31-33(27(23)17-26)24-10-4-5-11-24/h6-9,12-19,24H,4-5,10-11,20H2,1-3H3