1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-3-(2-pyrimidinylamino)-1-propanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one Traditional Name: 1-[4-(3-chlorobenzyl)piperazino]-3-(2-pyrimidylamino)propan-1-one Formula: C18H22ClN5O MolecularWeight: 359.85318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CCNC3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CCNC3=NC=CC=N3

InChI

InChI=1S/C18H22ClN5O/c19-16-4-1-3-15(13-16)14-23-9-11-24(12-10-23)17(25)5-8-22-18-20-6-2-7-21-18/h1-4,6-7,13H,5,8-12,14H2,(H,20,21,22)