(3,4-diethoxyphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (3,4-diethoxyphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (3,4-diethoxyphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (3,4-diethoxyphenyl)-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (3,4-diethoxyphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (3,4-diethoxyphenyl)-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OCC

InChI

InChI=1S/C23H31N5O3/c1-3-30-19-8-7-18(15-20(19)31-4-2)23(29)28-13-11-27(12-14-28)22-16-21(24-17-25-22)26-9-5-6-10-26/h7-8,15-17H,3-6,9-14H2,1-2H3