(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(phenylmethyl)pyrrolidine-1-carboxamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(phenylmethyl)pyrrolidine-1-carboxamide Openeye Name: (2S)-N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carboxamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(phenylmethyl)-1-pyrrolidinecarboxamide IUPAC Name: (2S)-N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carboxamide Traditional Name: (2S)-N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carboxamide Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O3/c24-21(22-15-16-6-2-1-3-7-16)23-11-4-8-18(23)17-9-10-19-20(14-17)26-13-5-12-25-19/h1-3,6-7,9-10,14,18H,4-5,8,11-13,15H2,(H,22,24)/t18-/m0/s1