N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CN(N=C3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CN(N=C3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C20H18ClN3O3/c21-17-9-14(10-18-19(17)27-8-4-7-26-18)11-22-20(25)15-12-23-24(13-15)16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13H,4,7-8,11H2,(H,22,25)