1-(4-tert-butylphenyl)-3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one

Systemtic Name: 1-(4-tert-butylphenyl)-3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one Openeye Name: 1-(4-tert-butylphenyl)-3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one CAS Name: 1-(4-tert-butylphenyl)-3-[[3-(4-methyl-1-piperazinyl)-2-pyrazinyl]methyl]-2-piperidinone IUPAC Name: 1-(4-tert-butylphenyl)-3-[[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-2-one Traditional Name: 1-(4-tert-butylphenyl)-3-[[3-(4-methylpiperazino)pyrazin-2-yl]methyl]-2-piperidone Formula: C25H35N5O MolecularWeight: 421.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CCCC(C2=O)CC3=NC=CN=C3N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CCCC(C2=O)CC3=NC=CN=C3N4CCN(CC4)C

InChI

InChI=1S/C25H35N5O/c1-25(2,3)20-7-9-21(10-8-20)30-13-5-6-19(24(30)31)18-22-23(27-12-11-26-22)29-16-14-28(4)15-17-29/h7-12,19H,5-6,13-18H2,1-4H3