3-chloranyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 3-chloranyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-3-chloro-2,2-dimethyl-propan-1-one CAS Name: 3-chloro-1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-chloro-2,2-dimethylpropan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-3-chloro-2,2-dimethyl-propan-1-one Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C)(C)CCl)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C)(C)CCl)CC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN4O/c1-16-19(14-18-8-6-5-7-9-18)20(25-17(2)24-16)26-10-12-27(13-11-26)21(28)22(3,4)15-23/h5-9H,10-15H2,1-4H3