4-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxo-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-2-keto-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile Formula: C21H26ClN5O MolecularWeight: 399.91704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

C1CCCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C#N

InChI

InChI=1S/C21H26ClN5O/c22-16-6-5-7-17(14-16)26-10-12-27(13-11-26)20-24-19(28)18(15-23)21(25-20)8-3-1-2-4-9-21/h5-7,14,18H,1-4,8-13H2,(H,24,25,28)