2-(1,3-benzoxazol-2-yl)-2-[6-methyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-2-[6-methyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzoxazol-2-yl)-2-[2-(4-benzylpiperazin-1-yl)-6-methyl-pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzoxazol-2-yl)-2-[6-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzoxazol-2-yl)-2-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzoxazol-2-yl)-2-[2-(4-benzylpiperazino)-6-methyl-pyrimidin-4-yl]acetonitrile Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)CC3=CC=CC=C3)C(C#N)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)CC3=CC=CC=C3)C(C#N)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H24N6O/c1-18-15-22(20(16-26)24-28-21-9-5-6-10-23(21)32-24)29-25(27-18)31-13-11-30(12-14-31)17-19-7-3-2-4-8-19/h2-10,15,20H,11-14,17H2,1H3