4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]benzamide

Systemtic Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]benzamide Openeye Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]benzamide CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methyl]benzamide IUPAC Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]benzamide Traditional Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methyl]benzamide Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=C(C=C2)C(=O)N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)CC2=CC=C(C=C2)C(=O)N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O3/c22-21(24)16-6-4-15(5-7-16)14-23-10-1-3-18(23)17-8-9-19-20(13-17)26-12-2-11-25-19/h4-9,13,18H,1-3,10-12,14H2,(H2,22,24)/t18-/m0/s1