4-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-keto-prop-1-enyl]benzonitrile Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3/c24-16-18-6-4-17(5-7-18)8-11-23(26)25-12-1-3-20(25)19-9-10-21-22(15-19)28-14-2-13-27-21/h4-11,15,20H,1-3,12-14H2/b11-8+