(3,4-diethoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (3,4-diethoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (3,4-diethoxyphenyl)-[4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (3,4-diethoxyphenyl)-[4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (3,4-diethoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (3,4-diethoxyphenyl)-[4-[6-(4-methylpiperidino)pyrimidin-4-yl]piperazino]methanone Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCC(CC4)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCC(CC4)C)OCC

InChI

InChI=1S/C25H35N5O3/c1-4-32-21-7-6-20(16-22(21)33-5-2)25(31)30-14-12-29(13-15-30)24-17-23(26-18-27-24)28-10-8-19(3)9-11-28/h6-7,16-19H,4-5,8-15H2,1-3H3