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

Systemtic Name: 6-chloranyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[(6-pyrrolidino-3-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C20H22ClN3O3/c21-16-10-15(11-17-19(16)27-9-3-8-26-17)20(25)23-13-14-4-5-18(22-12-14)24-6-1-2-7-24/h4-5,10-12H,1-3,6-9,13H2,(H,23,25)