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

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C23H18ClFN4O3 MolecularWeight: 452.865423

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4F)N5C=CC=C5)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4F)N5C=CC=C5)Cl)OC1

InChI

InChI=1S/C23H18ClFN4O3/c24-16-12-20-21(32-11-5-10-31-20)13-18(16)27-22(30)15-14-26-29(19-7-2-1-6-17(19)25)23(15)28-8-3-4-9-28/h1-4,6-9,12-14H,5,10-11H2,(H,27,30)