tert-butyl 4-[[1-methyl-7-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]indol-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-methyl-7-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]indol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[1-methyl-7-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]indol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[1-methyl-7-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]-2-indolyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-methyl-7-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]indol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[1-methyl-7-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]indol-2-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H36N6O3 MolecularWeight: 492.61314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=CC=CC3=C2N(C(=C3)CN4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=CC=CC3=C2N(C(=C3)CN4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H36N6O3/c1-19-9-10-22(17-28-19)30-25(34)29-16-21-8-6-7-20-15-23(31(5)24(20)21)18-32-11-13-33(14-12-32)26(35)36-27(2,3)4/h6-10,15,17H,11-14,16,18H2,1-5H3,(H2,29,30,34)