2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethanone CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethanone Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CCN(C(C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C25H31N7O/c33-24(30-16-14-29(15-17-30)19-21-6-2-1-3-7-21)18-22-8-4-5-12-32(22)23-9-10-27-25(28-23)31-13-11-26-20-31/h1-3,6-7,9-11,13,20,22H,4-5,8,12,14-19H2