benzaldehyde; 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzenecarbonitrile

Systemtic Name: benzaldehyde; 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzenecarbonitrile Openeye Name: benzaldehyde; 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzonitrile CAS Name: benzaldehyde; 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzonitrile IUPAC Name: benzaldehyde; 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzonitrile Traditional Name: benzaldehyde; 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzonitrile Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C3=CC=C(C=C3)C#N.C1=CC=C(C=C1)C=O

Isomeric SMILES

C1CN(CCC12OCCO2)C3=CC=C(C=C3)C#N.C1=CC=C(C=C1)C=O

InChI

InChI=1S/C14H16N2O2.C7H6O/c15-11-12-1-3-13(4-2-12)16-7-5-14(6-8-16)17-9-10-18-14;8-6-7-4-2-1-3-5-7/h1-4H,5-10H2;1-6H