tert-butyl 4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(1H-indol-3-ylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(1H-indol-3-ylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(1H-indol-3-ylmethyl)piperazine-1-carboxylate CAS Name: 4-[4-(3,3-dimethyl-4-morpholinyl)but-2-ynyl]-2-(1H-indol-3-ylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(1H-indol-3-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-[4-(3,3-dimethylmorpholino)but-2-ynyl]-2-(1H-indol-3-ylmethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C28H40N4O3 MolecularWeight: 480.6422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CNC4=CC=CC=C43)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CNC4=CC=CC=C43)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H40N4O3/c1-27(2,3)35-26(33)32-15-14-30(12-8-9-13-31-16-17-34-21-28(31,4)5)20-23(32)18-22-19-29-25-11-7-6-10-24(22)25/h6-7,10-11,19,23,29H,12-18,20-21H2,1-5H3