3-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide

Systemtic Name: 3-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide Openeye Name: 3-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-3-phenylbutanamide IUPAC Name: 3-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide Traditional Name: 3-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butyramide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)NC(=O)C(C)N2C=NC=N2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)NC1=CC=C(C=C1)NC(=O)C(C)N2C=NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2/c1-15(17-6-4-3-5-7-17)12-20(27)24-18-8-10-19(11-9-18)25-21(28)16(2)26-14-22-13-23-26/h3-11,13-16H,12H2,1-2H3,(H,24,27)(H,25,28)