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

Systemtic Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzonitrile CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzonitrile Traditional Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzonitrile Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c22-14-15-4-6-16(7-5-15)21(24)23-10-1-3-18(23)17-8-9-19-20(13-17)26-12-2-11-25-19/h4-9,13,18H,1-3,10-12H2/t18-/m0/s1