(E)-but-2-enedioic acid; N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]ethanamide Openeye Name: N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-cyclohexyl-N-phenyl-2-[4-(5-propyl-2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: (E)-but-2-enedioic acid; N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide Traditional Name: N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazino]acetamide; fumaric acid Formula: C29H39N5O5 MolecularWeight: 537.65046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCN(CC2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCN(CC2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H35N5O.C4H4O4/c1-2-9-21-18-26-25(27-19-21)29-16-14-28(15-17-29)20-24(31)30(22-10-5-3-6-11-22)23-12-7-4-8-13-23;5-3(6)1-2-4(7)8/h3,5-6,10-11,18-19,23H,2,4,7-9,12-17,20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+