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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4Cl)OC1

InChI

InChI=1S/C19H16ClN3O3/c20-14-5-2-1-4-13(14)15-11-16(23-22-15)19(24)21-12-6-7-17-18(10-12)26-9-3-8-25-17/h1-2,4-7,10-11H,3,8-9H2,(H,21,24)(H,22,23)