N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-oxo-3-propyl-benzimidazol-1-yl)propanamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-oxo-3-propyl-1-benzimidazolyl)propanamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-keto-3-propyl-benzimidazol-1-yl)propionamide Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C21H21ClN6O2/c1-2-10-26-18-5-3-4-6-19(18)27(21(26)30)11-9-20(29)25-16-12-15(22)7-8-17(16)28-14-23-13-24-28/h3-8,12-14H,2,9-11H2,1H3,(H,25,29)