2-chloranyl-N-[4-(pyridin-4-ylmethyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide

Systemtic Name: 2-chloranyl-N-[4-(pyridin-4-ylmethyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide Openeye Name: 2-chloro-N-[4-(4-pyridylmethyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide CAS Name: 2-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide IUPAC Name: 2-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide Traditional Name: 2-chloro-N-[4-(4-pyridylmethyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide Formula: C21H16ClN5O MolecularWeight: 389.83764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl

InChI

InChI=1S/C21H16ClN5O/c22-20-6-5-18(27-13-24-25-14-27)12-19(20)21(28)26-17-3-1-15(2-4-17)11-16-7-9-23-10-8-16/h1-10,12-14H,11H2,(H,26,28)