1-phenethyl-N-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenethyl-N-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenethyl-N-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]triazole-4-carboxamide CAS Name: 1-phenethyl-N-[(1S)-1-phenyl-2-(1-pyrazolyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-phenethyl-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]triazole-4-carboxamide Traditional Name: 1-phenethyl-N-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]triazole-4-carboxamide Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(N=N2)C(=O)NC(CN3C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(N=N2)C(=O)N[C@H](CN3C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O/c29-22(21-17-28(26-25-21)15-12-18-8-3-1-4-9-18)24-20(16-27-14-7-13-23-27)19-10-5-2-6-11-19/h1-11,13-14,17,20H,12,15-16H2,(H,24,29)/t20-/m1/s1