tert-butyl 4-[2-(pentan-3-ylamino)-3H-benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(pentan-3-ylamino)-3H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1-ethylpropylamino)-3H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-(pentan-3-ylamino)-3H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(pentan-3-ylamino)-3H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(1-ethylpropylamino)-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H33N5O2 MolecularWeight: 387.51902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC2=C(N1)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)NC1=NC2=C(N1)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N5O2/c1-6-15(7-2)22-19-23-17-9-8-16(14-18(17)24-19)25-10-12-26(13-11-25)20(27)28-21(3,4)5/h8-9,14-15H,6-7,10-13H2,1-5H3,(H2,22,23,24)