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

Systemtic Name: 4-phenoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide Openeye Name: 4-phenoxy-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]-4-phenoxybutanamide IUPAC Name: 4-phenoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide Traditional Name: 4-phenoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butyramide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)CCCOC2=CC=CC=C2)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)CCCOC2=CC=CC=C2)N3C=NC=N3

InChI

InChI=1S/C21H23N5O3/c1-16(26-15-22-14-23-26)21(28)25-18-11-9-17(10-12-18)24-20(27)8-5-13-29-19-6-3-2-4-7-19/h2-4,6-7,9-12,14-16H,5,8,13H2,1H3,(H,24,27)(H,25,28)