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

Systemtic Name: 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide CAS Name: 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide Formula: C19H16ClN3O3 MolecularWeight: 369.80164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl)OC1

InChI

InChI=1S/C19H16ClN3O3/c20-13-4-2-12(3-5-13)18-15(11-21-23-18)19(24)22-14-6-7-16-17(10-14)26-9-1-8-25-16/h2-7,10-11H,1,8-9H2,(H,21,23)(H,22,24)