tert-butyl 4-[6-(1H-indazol-6-ylcarbamoyl)-2-[(3-methylpyridin-2-yl)amino]-1H-benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(1H-indazol-6-ylcarbamoyl)-2-[(3-methylpyridin-2-yl)amino]-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(1H-indazol-6-ylcarbamoyl)-2-[(3-methyl-2-pyridyl)amino]-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(1H-indazol-6-ylamino)-oxomethyl]-2-[(3-methyl-2-pyridinyl)amino]-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(1H-indazol-6-ylcarbamoyl)-2-[(3-methylpyridin-2-yl)amino]-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(1H-indazol-6-ylcarbamoyl)-2-[(3-methyl-2-pyridyl)amino]-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H33N9O3 MolecularWeight: 567.64152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC3=C(N2)C=C(C(=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C(=O)NC5=CC6=C(C=C5)C=NN6

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC3=C(N2)C=C(C(=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C(=O)NC5=CC6=C(C=C5)C=NN6

InChI

InChI=1S/C30H33N9O3/c1-18-6-5-9-31-26(18)36-28-34-23-15-21(27(40)33-20-8-7-19-17-32-37-22(19)14-20)25(16-24(23)35-28)38-10-12-39(13-11-38)29(41)42-30(2,3)4/h5-9,14-17H,10-13H2,1-4H3,(H,32,37)(H,33,40)(H2,31,34,35,36)