1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentyl-propan-1-one

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentyl-propan-1-one Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-3-cyclopentyl-1-propanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-3-cyclopentyl-propan-1-one Formula: C26H35ClN4O MolecularWeight: 455.0353

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CCC3CCCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CCC3CCCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H35ClN4O/c1-3-24-23(18-21-8-11-22(27)12-9-21)26(29-19(2)28-24)31-16-14-30(15-17-31)25(32)13-10-20-6-4-5-7-20/h8-9,11-12,20H,3-7,10,13-18H2,1-2H3