1-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)pyrrole-3-carbonitrile

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)pyrrole-3-carbonitrile Openeye Name: 1-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrole-3-carbonitrile CAS Name: 1-(2,5-dimethylphenyl)-2-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrole-3-carbonitrile Traditional Name: 1-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrole-3-carbonitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CC(=C2C(=O)N3CCC4(CC3)OCCO4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CC(=C2C(=O)N3CCC4(CC3)OCCO4)C#N

InChI

InChI=1S/C21H23N3O3/c1-15-3-4-16(2)18(13-15)24-8-5-17(14-22)19(24)20(25)23-9-6-21(7-10-23)26-11-12-27-21/h3-5,8,13H,6-7,9-12H2,1-2H3