2-azanyl-N-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide

Systemtic Name: 2-azanyl-N-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide Openeye Name: 2-amino-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide CAS Name: 2-amino-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide IUPAC Name: 2-amino-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide Traditional Name: 2-amino-N-[5-chloro-2-(1,2,4-triazol-1-yl)benzyl]butyramide Formula: C13H16ClN5O MolecularWeight: 293.75204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=C(C=CC(=C1)Cl)N2C=NC=N2)N

Isomeric SMILES

CCC(C(=O)NCC1=C(C=CC(=C1)Cl)N2C=NC=N2)N

InChI

InChI=1S/C13H16ClN5O/c1-2-11(15)13(20)17-6-9-5-10(14)3-4-12(9)19-8-16-7-18-19/h3-5,7-8,11H,2,6,15H2,1H3,(H,17,20)