[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-pyrazol-1-ylpyridin-3-yl)methanone

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-pyrazol-1-ylpyridin-3-yl)methanone Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridyl)methanone CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-[6-(1-pyrazolyl)-3-pyridinyl]methanone IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-pyrazol-1-ylpyridin-3-yl)methanone Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(6-pyrazol-1-yl-3-pyridyl)methanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CN=C(C=C2)N3C=CC=N3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CN=C(C=C2)N3C=CC=N3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H22N4O3/c27-22(17-6-8-21(23-15-17)26-11-2-9-24-26)25-10-1-4-18(25)16-5-7-19-20(14-16)29-13-3-12-28-19/h2,5-9,11,14-15,18H,1,3-4,10,12-13H2