6-chloranyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4)C

InChI

InChI=1S/C20H19ClN4O3/c1-12-8-13(2)25(24-12)18-5-4-15(11-22-18)23-20(26)14-9-16(21)19-17(10-14)27-6-3-7-28-19/h4-5,8-11H,3,6-7H2,1-2H3,(H,23,26)