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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCC4(CC3)OCCO4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCC4(CC3)OCCO4)C#N

InChI

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