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

Systemtic Name: 10-[4-(diphenylmethyl)piperazin-1-yl]-8-oxidanylidene-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Openeye Name: 10-(4-benzhydrylpiperazin-1-yl)-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile CAS Name: 10-[4-(diphenylmethyl)-1-piperazinyl]-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile IUPAC Name: 10-(4-benzhydrylpiperazin-1-yl)-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Traditional Name: 10-(4-benzhydrylpiperazino)-8-keto-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Formula: C27H31N5O MolecularWeight: 441.56794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C27H31N5O/c28-20-23-25(33)29-26(30-27(23)14-8-3-9-15-27)32-18-16-31(17-19-32)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,23-24H,3,8-9,14-19H2,(H,29,30,33)