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

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

Isomeric SMILES

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

InChI

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