10-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-oxidanylidene-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile

Systemtic Name: 10-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-oxidanylidene-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Openeye Name: 10-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile CAS Name: 10-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile IUPAC Name: 10-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Traditional Name: 8-keto-10-(4-piperonylpiperazino)-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C22H27N5O3/c23-13-17-20(28)24-21(25-22(17)6-2-1-3-7-22)27-10-8-26(9-11-27)14-16-4-5-18-19(12-16)30-15-29-18/h4-5,12,17H,1-3,6-11,14-15H2,(H,24,25,28)