3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]carbonylbenzenecarbonitrile Openeye Name: 3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile CAS Name: 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-oxomethyl]benzonitrile IUPAC Name: 3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile Traditional Name: 3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)CC3=CC=CC=C3C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC12OCCO2)CC3=CC=CC=C3C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H22N2O3/c23-15-17-4-3-6-18(14-17)21(25)20-7-2-1-5-19(20)16-24-10-8-22(9-11-24)26-12-13-27-22/h1-7,14H,8-13,16H2