tert-butyl 3-(2-dimethylaminoethyl)-5-[[(4-methyl-1,2,4-triazol-3-yl)amino]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-dimethylaminoethyl)-5-[[(4-methyl-1,2,4-triazol-3-yl)amino]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-(2-dimethylaminoethyl)-5-[[(4-methyl-1,2,4-triazol-3-yl)amino]methyl]indole-1-carboxylate CAS Name: 3-(2-dimethylaminoethyl)-5-[[(4-methyl-1,2,4-triazol-3-yl)amino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-dimethylaminoethyl)-5-[[(4-methyl-1,2,4-triazol-3-yl)amino]methyl]indole-1-carboxylate Traditional Name: 3-(2-dimethylaminoethyl)-5-[[(4-methyl-1,2,4-triazol-3-yl)amino]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)CNC3=NN=CN3C)CCN(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)CNC3=NN=CN3C)CCN(C)C

InChI

InChI=1S/C21H30N6O2/c1-21(2,3)29-20(28)27-13-16(9-10-25(4)5)17-11-15(7-8-18(17)27)12-22-19-24-23-14-26(19)6/h7-8,11,13-14H,9-10,12H2,1-6H3,(H,22,24)