6-chloranyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)Cl)OC1

InChI

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