N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide hydrate

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide hydrate Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide hydrate CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide hydrate IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide hydrate Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide hydrate Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C3C(=CC=C2)OCCCO3.O

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C3C(=CC=C2)OCCCO3.O

InChI

InChI=1S/C17H24N2O3.H2O/c1-2-19-9-4-6-13(19)12-18-17(20)14-7-3-8-15-16(14)22-11-5-10-21-15;/h3,7-8,13H,2,4-6,9-12H2,1H3,(H,18,20);1H2