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

Systemtic Name: 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]carbonylbenzenecarbonitrile Openeye Name: 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile CAS Name: 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-oxomethyl]benzonitrile IUPAC Name: 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile Traditional Name: 3-[3-(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(=C3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC12OCCO2)CC3=CC=CC(=C3)C(=O)C4=CC=CC(=C4)C#N

InChI

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