N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-cyclopropyl-2-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-cyclopropyl-2-phenylpyrazole-3-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)Cl)OC1

InChI

InChI=1S/C22H20ClN3O3/c23-16-11-20-21(29-10-4-9-28-20)13-18(16)24-22(27)19-12-17(14-7-8-14)25-26(19)15-5-2-1-3-6-15/h1-3,5-6,11-14H,4,7-10H2,(H,24,27)