(4-phenylpiperazin-1-yl)-[4-(pyrimidin-2-ylamino)cyclohexyl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[4-(pyrimidin-2-ylamino)cyclohexyl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[4-(pyrimidin-2-ylamino)cyclohexyl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[4-(2-pyrimidinylamino)cyclohexyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[4-(pyrimidin-2-ylamino)cyclohexyl]methanone Traditional Name: (4-phenylpiperazino)-[4-(2-pyrimidylamino)cyclohexyl]methanone Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CC(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)NC4=NC=CC=N4

InChI

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