tert-butyl 5-azanyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: tert-butyl 5-azanyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]-1,2,3-triazole-4-carboxylate Openeye Name: tert-butyl 5-amino-1-(1-benzylpyrrolidin-3-yl)triazole-4-carboxylate CAS Name: 5-amino-1-[1-(phenylmethyl)-3-pyrrolidinyl]-4-triazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-1-(1-benzylpyrrolidin-3-yl)triazole-4-carboxylate Traditional Name: 5-amino-1-(1-benzylpyrrolidin-3-yl)triazole-4-carboxylic acid tert-butyl ester Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N(N=N1)C2CCN(C2)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N(N=N1)C2CCN(C2)CC3=CC=CC=C3)N

InChI

InChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)15-16(19)23(21-20-15)14-9-10-22(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12,19H2,1-3H3