1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]triazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-(4-pyrimidinyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]triazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-[(1S)-1-(4-pyrimidyl)ethyl]triazole-4-carboxamide Formula: C16H15ClN6O MolecularWeight: 342.7829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H15ClN6O/c1-11(14-6-7-18-10-19-14)20-16(24)15-9-23(22-21-15)8-12-4-2-3-5-13(12)17/h2-7,9-11H,8H2,1H3,(H,20,24)/t11-/m0/s1