tert-butyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(3,5-dimethylpyrazol-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(3,5-dimethyl-1-pyrazolyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(3,5-dimethylpyrazol-1-yl)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=NN1C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H26N4O3/c1-13-10-14(2)25(24-13)19(26)18(23-20(27)28-21(3,4)5)11-15-12-22-17-9-7-6-8-16(15)17/h6-10,12,18,22H,11H2,1-5H3,(H,23,27)/t18-/m0/s1