4-[[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]piperazino]methyl]benzonitrile Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H31N5O/c1-21-3-2-4-24(17-21)29-13-15-30(16-14-29)25(31)20-28-11-9-27(10-12-28)19-23-7-5-22(18-26)6-8-23/h2-8,17H,9-16,19-20H2,1H3