3-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O3/c1-3-25(4-2)16-8-6-15(7-9-16)22-21(26)18-12-17(23-24-18)14-5-10-19-20(11-14)28-13-27-19/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,24)