3-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1H-pyrazole-5-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN3O3/c1-13(14-7-8-19-20(11-14)28-10-4-9-27-19)23-21(26)18-12-17(24-25-18)15-5-2-3-6-16(15)22/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,23,26)(H,24,25)