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

Systemtic Name: 3-methyl-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)-3-methyl-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile CAS Name: 3-methyl-8-oxo-10-[4-(phenylmethyl)-1-piperazinyl]-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile IUPAC Name: 10-(4-benzylpiperazin-1-yl)-3-methyl-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Traditional Name: 10-(4-benzylpiperazino)-8-keto-3-methyl-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H29N5O/c1-17-7-9-22(10-8-17)19(15-23)20(28)24-21(25-22)27-13-11-26(12-14-27)16-18-5-3-2-4-6-18/h2-6,17,19H,7-14,16H2,1H3,(H,24,25,28)