N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c23-14-17-18(26-27(21(17)24)16-5-2-1-3-6-16)7-4-10-25-22(28)15-8-9-19-20(13-15)30-12-11-29-19/h1-3,5-6,8-9,13H,4,7,10-12,24H2,(H,25,28)