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

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-pyrazol-1-yl-benzamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-pyrazol-1-yl-benzamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-pyrazolyl)benzamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-pyrazol-1-ylbenzamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-pyrazol-1-yl-benzamide 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=CC=C3N4C=CC=N4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)C3=CC=CC=C3N4C=CC=N4)Cl)OC1

InChI

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