(1S)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]cyclohex-3-ene-1-carboxamide Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C17H20N4O/c22-17(16-4-2-1-3-5-16)19-10-14-6-8-15(9-7-14)11-21-13-18-12-20-21/h1-2,6-9,12-13,16H,3-5,10-11H2,(H,19,22)/t16-/m1/s1