tert-butyl 4-[[azanyl-[1H-indol-2-ylcarbonyl(methoxy)amino]methylidene]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[azanyl-[1H-indol-2-ylcarbonyl(methoxy)amino]methylidene]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[amino-[1H-indole-2-carbonyl(methoxy)amino]methylene]amino]piperidine-1-carboxylate CAS Name: 4-[[amino-[[1H-indol-2-yl(oxo)methyl]-methoxyamino]methylidene]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[amino-[1H-indole-2-carbonyl(methoxy)amino]methylidene]amino]piperidine-1-carboxylate Traditional Name: 4-[[amino-[1H-indole-2-carbonyl(methoxy)amino]methylene]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N=C(N)N(C(=O)C2=CC3=CC=CC=C3N2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N=C(N)N(C(=O)C2=CC3=CC=CC=C3N2)OC

InChI

InChI=1S/C21H29N5O4/c1-21(2,3)30-20(28)25-11-9-15(10-12-25)23-19(22)26(29-4)18(27)17-13-14-7-5-6-8-16(14)24-17/h5-8,13,15,24H,9-12H2,1-4H3,(H2,22,23)