tert-butyl 4-[[1-[[3-(2-dimethylaminoethyloxy)-6-methyl-pyridin-2-yl]methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-[[3-(2-dimethylaminoethyloxy)-6-methyl-pyridin-2-yl]methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-[[3-(2-dimethylaminoethyloxy)-6-methyl-2-pyridyl]methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-[[3-(2-dimethylaminoethyloxy)-6-methyl-2-pyridinyl]methyl]-2-benzimidazolyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[[3-(2-dimethylaminoethyloxy)-6-methylpyridin-2-yl]methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-[[3-(2-dimethylaminoethyloxy)-6-methyl-2-pyridyl]methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H40N6O3 MolecularWeight: 508.6556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCCN(C)C)CN2C3=CC=CC=C3N=C2NC4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=C(C=C1)OCCN(C)C)CN2C3=CC=CC=C3N=C2NC4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H40N6O3/c1-20-11-12-25(36-18-17-32(5)6)23(29-20)19-34-24-10-8-7-9-22(24)31-26(34)30-21-13-15-33(16-14-21)27(35)37-28(2,3)4/h7-12,21H,13-19H2,1-6H3,(H,30,31)