3-(2-phenylpyrrolidin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(2-phenylpyrrolidin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(2-phenylpyrrolidin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(2-phenyl-1-pyrrolidinyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-phenylpyrrolidin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(2-phenylpyrrolidino)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c27-20(25-14-16-26(17-15-25)21-22-10-5-11-23-21)9-13-24-12-4-8-19(24)18-6-2-1-3-7-18/h1-3,5-7,10-11,19H,4,8-9,12-17H2