N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrazol-1-ylphenyl)ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrazol-1-ylphenyl)ethanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrazol-1-ylphenyl)acetamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(1-pyrazolyl)phenyl]acetamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrazol-1-ylphenyl)acetamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrazol-1-ylphenyl)acetamide Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CC3=CC=C(C=C3)N4C=CC=N4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CC3=CC=C(C=C3)N4C=CC=N4)Cl)OC1

InChI

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