tert-butyl N-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]propyl]-N-(phenylcarbonyl)carbamate

Systemtic Name: tert-butyl N-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]propyl]-N-(phenylcarbonyl)carbamate Openeye Name: tert-butyl N-benzoyl-N-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]propyl]carbamate CAS Name: N-benzoyl-N-[3-[(2,5-dimethyl-3-pyrazolyl)methylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzoyl-N-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]propyl]carbamate Traditional Name: N-benzoyl-N-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]propyl]carbamic acid tert-butyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CNCCCN(C(=O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NN(C(=C1)CNCCCN(C(=O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H30N4O3/c1-16-14-18(24(5)23-16)15-22-12-9-13-25(20(27)28-21(2,3)4)19(26)17-10-7-6-8-11-17/h6-8,10-11,14,22H,9,12-13,15H2,1-5H3