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

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(1-phenylpyrazol-4-yl)propionamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C21H20ClN3O3/c22-17-11-19-20(28-10-4-9-27-19)12-18(17)24-21(26)8-7-15-13-23-25(14-15)16-5-2-1-3-6-16/h1-3,5-6,11-14H,4,7-10H2,(H,24,26)