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

Systemtic Name: 8-oxidanylidene-10-[4-(phenylmethyl)piperazin-1-yl]-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Openeye Name: 10-(4-benzylpiperazin-1-yl)-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile CAS Name: 8-oxo-10-[4-(phenylmethyl)-1-piperazinyl]-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile IUPAC Name: 10-(4-benzylpiperazin-1-yl)-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Traditional Name: 10-(4-benzylpiperazino)-8-keto-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O/c22-15-18-19(27)23-20(24-21(18)9-5-2-6-10-21)26-13-11-25(12-14-26)16-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-14,16H2,(H,23,24,27)