N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=NN3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=NN3)C4=CC=CC=C4)Cl)OC1

InChI

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