2-(4-phenylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-phenylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-phenylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-phenylphenyl)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-phenylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-phenylphenyl)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethanone Formula: C26H29N5O MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O/c32-26(18-21-8-10-23(11-9-21)22-6-2-1-3-7-22)31-16-14-30(15-17-31)25-19-24(27-20-28-25)29-12-4-5-13-29/h1-3,6-11,19-20H,4-5,12-18H2