3-[2-(4-chlorophenyl)morpholin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[2-(4-chlorophenyl)morpholin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[2-(4-chlorophenyl)morpholin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[2-(4-chlorophenyl)-4-morpholinyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[2-(4-chlorophenyl)morpholin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[2-(4-chlorophenyl)morpholino]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3CCOC(C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3CCOC(C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H26ClN5O2/c22-18-4-2-17(3-5-18)19-16-25(14-15-29-19)9-6-20(28)26-10-12-27(13-11-26)21-23-7-1-8-24-21/h1-5,7-8,19H,6,9-16H2