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

Systemtic Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-methoxypyridin-3-yl)methanone Openeye Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-methoxy-3-pyridyl)methanone CAS Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-(6-methoxy-3-pyridinyl)methanone IUPAC Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(6-methoxypyridin-3-yl)methanone Traditional Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(6-methoxy-3-pyridyl)methanone Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=NC=C(C=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H22N2O4/c1-24-19-8-6-15(13-21-19)20(23)22-9-2-4-16(22)14-5-7-17-18(12-14)26-11-3-10-25-17/h5-8,12-13,16H,2-4,9-11H2,1H3/t16-/m0/s1