N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methyl-1-propyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methyl-1-propyl-pyrazole-4-carboxamide Openeye Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-5-methyl-1-propyl-pyrazole-4-carboxamide CAS Name: N-[(2S)-1-(1-benzotriazolyl)propan-2-yl]-5-methyl-1-propyl-4-pyrazolecarboxamide IUPAC Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methyl-1-propylpyrazole-4-carboxamide Traditional Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-5-methyl-1-propyl-pyrazole-4-carboxamide Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C(=O)NC(C)CN2C3=CC=CC=C3N=N2)C

Isomeric SMILES

CCCN1C(=C(C=N1)C(=O)N[C@@H](C)CN2C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C17H22N6O/c1-4-9-22-13(3)14(10-18-22)17(24)19-12(2)11-23-16-8-6-5-7-15(16)20-21-23/h5-8,10,12H,4,9,11H2,1-3H3,(H,19,24)/t12-/m0/s1