[4-(phenylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: (4-benzylpiperazino)-[3-(2-pyrimidylamino)phenyl]methanone Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C22H23N5O/c28-21(19-8-4-9-20(16-19)25-22-23-10-5-11-24-22)27-14-12-26(13-15-27)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,23,24,25)