5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(1-imidazolylmethyl)phenyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NC4=CC=CC(=C4)CN5C=CN=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NC4=CC=CC(=C4)CN5C=CN=C5

InChI

InChI=1S/C22H19N5O3/c28-22(25-17-3-1-2-15(10-17)13-27-7-6-23-14-27)18-12-24-26-21(18)16-4-5-19-20(11-16)30-9-8-29-19/h1-7,10-12,14H,8-9,13H2,(H,24,26)(H,25,28)