(4-butoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-[6-(4-methylpiperidino)pyrimidin-4-yl]piperazino]methanone Formula: C25H35N5O2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCC(CC4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCC(CC4)C

InChI

InChI=1S/C25H35N5O2/c1-3-4-17-32-22-7-5-21(6-8-22)25(31)30-15-13-29(14-16-30)24-18-23(26-19-27-24)28-11-9-20(2)10-12-28/h5-8,18-20H,3-4,9-17H2,1-2H3