9-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-oxidanylidene-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile

Systemtic Name: 9-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-oxidanylidene-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile Openeye Name: 9-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-oxo-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile CAS Name: 9-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-oxo-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile IUPAC Name: 9-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-oxo-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile Traditional Name: 7-keto-9-(4-piperonylpiperazino)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CCC2(C1)C(C(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C21H25N5O3/c22-12-16-19(27)23-20(24-21(16)5-1-2-6-21)26-9-7-25(8-10-26)13-15-3-4-17-18(11-15)29-14-28-17/h3-4,11,16H,1-2,5-10,13-14H2,(H,23,24,27)