phenyl-[2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methanone

Systemtic Name: phenyl-[2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methanone Openeye Name: phenyl-[2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanone CAS Name: [2-[oxo-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl]phenyl]-phenylmethanone IUPAC Name: phenyl-[2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanone Traditional Name: phenyl-[2-[4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanone Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O2/c32-25(20-8-2-1-3-9-20)21-10-4-5-11-22(21)26(33)31-16-14-30(15-17-31)24-18-23(27-19-28-24)29-12-6-7-13-29/h1-5,8-11,18-19H,6-7,12-17H2