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

Systemtic Name: 2-chloranyl-6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]benzonitrile CAS Name: 2-chloro-6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]benzonitrile IUPAC Name: 2-chloro-6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]benzonitrile Traditional Name: 2-chloro-6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]benzonitrile Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=CC=C2)Cl)C#N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2/c21-16-4-1-5-18(15(16)13-22)23-9-2-6-17(23)14-7-8-19-20(12-14)25-11-3-10-24-19/h1,4-5,7-8,12,17H,2-3,6,9-11H2/t17-/m0/s1