1-(3-phenylpropyl)-N-(1-pyrimidin-4-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-phenylpropyl)-N-(1-pyrimidin-4-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-phenylpropyl)-N-(1-pyrimidin-4-ylethyl)triazole-4-carboxamide CAS Name: 1-(3-phenylpropyl)-N-[1-(4-pyrimidinyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-(3-phenylpropyl)-N-(1-pyrimidin-4-ylethyl)triazole-4-carboxamide Traditional Name: 1-(3-phenylpropyl)-N-[1-(4-pyrimidyl)ethyl]triazole-4-carboxamide Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C1=NC=NC=C1)NC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H20N6O/c1-14(16-9-10-19-13-20-16)21-18(25)17-12-24(23-22-17)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,21,25)