(E)-3-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O/c27-21(9-8-18-6-2-1-3-7-18)26-14-12-25(13-15-26)20-16-19(22-17-23-20)24-10-4-5-11-24/h1-3,6-9,16-17H,4-5,10-15H2/b9-8+