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

Systemtic Name: 6-chloranyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-(1-pyrazolylmethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4)Cl)OC1

InChI

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